mtybilly/Instruct2DS huggingface dataset:
Variance-reduced Zeroth-Order Methods for Fine-Tuning Language Models
Authors: Tanmay Gautam, Youngsuk Park, Hao Zhou, Parameswaran Raman, Wooseok Ha
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Fine-tuning language models (LMs) has demonstrated success in a wide array of downstream tasks. However, as LMs are scaled up, the memory requirements for backpropagation become prohibitively high. Zeroth-order (ZO) optimization methods can leverage memory-efficient forward passes to estimate gradients. More recently, MeZO, an adaptation of ZO-SGD, has been shown to consistently outperform zero-shot and in-context learning when combined with suitable task prompts. In this work, we couple ZO methods with variance reduction techniques to enhance stability and convergence for inference-based LM fine-tuning. We introduce Memory-Efficient Zeroth-Order Stochastic Variance-Reduced Gradient (MeZO-SVRG) and demonstrate its efficacy across multiple LM fine-tuning tasks, eliminating the reliance on task-specific prompts. Evaluated across a range of both masked and autoregressive LMs on benchmark GLUE tasks, MeZO-SVRG outperforms MeZO with up to 20% increase in test accuracies in both full- and partial-parameter fine-tuning settings. MeZO-SVRG benefits from reduced computation time as it often surpasses MeZO’s peak test accuracy with a $2\times$ reduction in GPU-hours. MeZO-SVRG significantly reduces the required memory footprint compared to first-order SGD, i.e. by $2\times$ for autoregressive models. Our experiments highlight that MeZO-SVRG’s memory savings progressively improve compared to SGD with larger batch sizes.
Position: Categorical Deep Learning is an Algebraic Theory of All Architectures
Authors: Bruno Gavranović, Paul Lessard, Andrew Joseph Dudzik, Tamara Von Glehn, João Guilherme Madeira Araújo, Petar Veličković
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: We present our position on the elusive quest for a general-purpose framework for specifying and studying deep learning architectures. Our opinion is that the key attempts made so far lack a coherent bridge between specifying constraints which models must satisfy and specifying their implementations. Focusing on building a such a bridge, we propose to apply category theory—precisely, the universal algebra of monads valued in a 2-category of parametric maps—as a single theory elegantly subsuming both of these flavours of neural network design. To defend our position, we show how this theory recovers constraints induced by geometric deep learning, as well as implementations of many architectures drawn from the diverse landscape of neural networks, such as RNNs. We also illustrate how the theory naturally encodes many standard constructs in computer science and automata theory.
Masked Face Recognition with Generative-to-Discriminative Representations
Authors: Shiming Ge, Weijia Guo, Chenyu Li, Zhang Junzheng, Yong Li, Dan Zeng
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Masked face recognition is important for social good but challenged by diverse occlusions that cause insufficient or inaccurate representations. In this work, we propose a unified deep network to learn generative-to-discriminative representations for facilitating masked face recognition. To this end, we split the network into three modules and learn them on synthetic masked faces in a greedy module-wise pretraining manner. First, we leverage a generative encoder pretrained for face inpainting and finetune it to represent masked faces into category-aware descriptors. Attribute to the generative encoder’s ability in recovering context information, the resulting descriptors can provide occlusion-robust representations for masked faces, mitigating the effect of diverse masks. Then, we incorporate a multi-layer convolutional network as a discriminative reformer and learn it to convert the category-aware descriptors into identity-aware vectors, where the learning is effectively supervised by distilling relation knowledge from off-the-shelf face recognition model. In this way, the discriminative reformer together with the generative encoder serves as the pretrained backbone, providing general and discriminative representations towards masked faces. Finally, we cascade one fully-connected layer following by one softmax layer into a feature classifier and finetune it to identify the reformed identity-aware vectors. Extensive experiments on synthetic and realistic datasets demonstrate the effectiveness of our approach in recognizing masked faces.
Safe and Robust Subgame Exploitation in Imperfect Information Games
Authors: Zhenxing Ge, Zheng Xu, Tianyu Ding, Linjian Meng, Bo An, Wenbin Li, Yang Gao
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Opponent exploitation is an important task for players to exploit the weaknesses of others in games. Existing approaches mainly focus on balancing between exploitation and exploitability but are often vulnerable to modeling errors and deceptive adversaries. To address this problem, our paper offers a novel perspective on the safety of opponent exploitation, named Adaptation Safety. This concept leverages the insight that strategies, even those not explicitly aimed at opponent exploitation, may inherently be exploitable due to computational complexities, rendering traditional safety overly rigorous. In contrast, adaptation safety requires that the strategy should not be more exploitable than it would be in scenarios where opponent exploitation is not considered. Building on such adaptation safety, we further propose an Opponent eXploitation Search (OX-Search) framework by incorporating real-time search techniques for efficient online opponent exploitation. Moreover, we provide theoretical analyses to show the adaptation safety and robust exploitation of OX-Search, even with inaccurate opponent models. Empirical evaluations in popular poker games demonstrate OX-Search’s superiority in both exploitability and exploitation compared to previous methods.
No Double Descent in Principal Component Regression: A High-Dimensional Analysis
Authors: Daniel Gedon, Antonio H. Ribeiro, Thomas B. Schön
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Understanding the generalization properties of large-scale models necessitates incorporating realistic data assumptions into the analysis. Therefore, we consider Principal Component Regression (PCR)—combining principal component analysis and linear regression—on data from a low-dimensional manifold. We present an analysis of PCR when the data is sampled from a spiked covariance model, obtaining fundamental asymptotic guarantees for the generalization risk of this model. Our analysis is based on random matrix theory and allows us to provide guarantees for high-dimensional data. We additionally present an analysis of the distribution shift between training and test data. The results allow us to disentangle the effects of (1) the number of parameters, (2) the data-generating model and, (3) model misspecification on the generalization risk. The use of PCR effectively regularizes the model and prevents the interpolation peak of the double descent. Our theoretical findings are empirically validated in simulation, demonstrating their practical relevance.
Don’t trust your eyes: on the (un)reliability of feature visualizations
Authors: Robert Geirhos, Roland S. Zimmermann, Blair Bilodeau, Wieland Brendel, Been Kim
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: How do neural networks extract patterns from pixels? Feature visualizations attempt to answer this important question by visualizing highly activating patterns through optimization. Today, visualization methods form the foundation of our knowledge about the internal workings of neural networks, as a type of mechanistic interpretability. Here we ask: How reliable are feature visualizations? We start our investigation by developing network circuits that trick feature visualizations into showing arbitrary patterns that are completely disconnected from normal network behavior on natural input. We then provide evidence for a similar phenomenon occurring in standard, unmanipulated networks: feature visualizations are processed very differently from standard input, casting doubt on their ability to "explain" how neural networks process natural images. This can be used as a sanity check for feature visualizations. We underpin our empirical findings by theory proving that the set of functions that can be reliably understood by feature visualization is extremely small and does not include general black-box neural networks. Therefore, a promising way forward could be the development of networks that enforce certain structures in order to ensure more reliable feature visualizations.
Learning with 3D rotations, a hitchhiker’s guide to SO(3)
Authors: Andreas René Geist, Jonas Frey, Mikel Zhobro, Anna Levina, Georg Martius
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Many settings in machine learning require the selection of a rotation representation. However, choosing a suitable representation from the many available options is challenging. This paper acts as a survey and guide through rotation representations. We walk through their properties that harm or benefit deep learning with gradient-based optimization. By consolidating insights from rotation-based learning, we provide a comprehensive overview of learning functions with rotation representations. We provide guidance on selecting representations based on whether rotations are in the model’s input or output and whether the data primarily comprises small angles.
Graph-Triggered Rising Bandits
Authors: Gianmarco Genalti, Marco Mussi, Nicola Gatti, Marcello Restelli, Matteo Castiglioni, Alberto Maria Metelli
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: In this paper, we propose a novel generalization of rested and restless bandits where the evolution of the arms’ expected rewards is governed by a graph defined over the arms. An edge connecting a pair of arms $(i,j)$ represents the fact that a pull of arm $i$ <em>triggers</em> the evolution of arm $j$, and vice versa. Interestingly, rested and restless bandits are both special cases of our model for some suitable (degenerate) graphs. Still, the model can represent way more general and interesting scenarios. We first tackle the problem of computing the optimal policy when no specific structure is assumed on the graph, showing that it is NP-hard. Then, we focus on a specific structure forcing the graph to be composed of a set of fully connected subgraphs (i.e., cliques), and we prove that the optimal policy can be easily computed in closed form. Then, we move to the learning problem presenting regret minimization algorithms for deterministic and stochastic cases. Our regret bounds highlight the complexity of the learning problem by incorporating instance-dependent terms that encode specific properties of the underlying graph structure. Moreover, we illustrate how the knowledge of the underlying graph is not necessary for achieving the no-regret property.
Improving Adversarial Energy-Based Model via Diffusion Process
Authors: Cong Geng, Tian Han, Peng-Tao Jiang, Hao Zhang, Jinwei Chen, Søren Hauberg, Bo Li
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Generative models have shown strong generation ability while efficient likelihood estimation is less explored. Energy-based models (EBMs) define a flexible energy function to parameterize unnormalized densities efficiently but are notorious for being difficult to train. Adversarial EBMs introduce a generator to form a minimax training game to avoid expensive MCMC sampling used in traditional EBMs, but a noticeable gap between adversarial EBMs and other strong generative models still exists. Inspired by diffusion-based models, we embedded EBMs into each denoising step to split a long-generated process into several smaller steps. Besides, we employ a symmetric Jeffrey divergence and introduce a variational posterior distribution for the generator’s training to address the main challenges that exist in adversarial EBMs. Our experiments show significant improvement in generation compared to existing adversarial EBMs, while also providing a useful energy function for efficient density estimation.
Reinforcement Learning within Tree Search for Fast Macro Placement
Authors: Zijie Geng, Jie Wang, Ziyan Liu, Siyuan Xu, Zhentao Tang, Mingxuan Yuan, Jianye Hao, Yongdong Zhang, Feng Wu
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Macro placement is a crucial step in modern chip design, and reinforcement learning (RL) has recently emerged as a promising technique for improving the placement quality. However, existing RL-based techniques are hindered by their low sample efficiency, requiring numerous online rollouts or substantial offline expert data to achieve bootstrap, which are often impractical in industrial scenarios. To address this challenge, we propose a novel sample-efficient framework, namely <b>EfficientPlace</b>, for fast macro placement. EfficientPlace integrates a global tree search algorithm to strategically direct the optimization process, as well as a RL agent for local policy learning to advance the tree search. Experiments on commonly used benchmarks demonstrate that EfficientPlace achieves remarkable placement quality within a short timeframe, outperforming recent state-of-the-art approaches.
Adaptive Horizon Actor-Critic for Policy Learning in Contact-Rich Differentiable Simulation
Authors: Ignat Georgiev, Krishnan Srinivasan, Jie Xu, Eric Heiden, Animesh Garg
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Model-Free Reinforcement Learning (MFRL), leveraging the policy gradient theorem, has demonstrated considerable success in continuous control tasks. However, these approaches are plagued by high gradient variance due to zeroth-order gradient estimation, resulting in suboptimal policies. Conversely, First-Order Model-Based Reinforcement Learning (FO-MBRL) methods employing differentiable simulation provide gradients with reduced variance but are susceptible to sampling error in scenarios involving stiff dynamics, such as physical contact. This paper investigates the source of this error and introduces Adaptive Horizon Actor-Critic (AHAC), an FO-MBRL algorithm that reduces gradient error by adapting the model-based horizon to avoid stiff dynamics. Empirical findings reveal that AHAC outperforms MFRL baselines, attaining 40% more reward across a set of locomotion tasks and efficiently scaling to high-dimensional control environments with improved wall-clock-time efficiency. adaptive-horizon-actor-critic.github.io
Emergent Equivariance in Deep Ensembles
Authors: Jan E Gerken, Pan Kessel
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: We show that deep ensembles become equivariant for all inputs and at all training times by simply using data augmentation. Crucially, equivariance holds off-manifold and for any architecture in the infinite width limit. The equivariance is emergent in the sense that predictions of individual ensemble members are not equivariant but their collective prediction is. Neural tangent kernel theory is used to derive this result and we verify our theoretical insights using detailed numerical experiments.
Patchscopes: A Unifying Framework for Inspecting Hidden Representations of Language Models
Authors: Asma Ghandeharioun, Avi Caciularu, Adam Pearce, Lucas Dixon, Mor Geva
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Understanding the internal representations of large language models (LLMs) can help explain models’ behavior and verify their alignment with human values. Given the capabilities of LLMs in generating human-understandable text, we propose leveraging the model itself to explain its internal representations in natural language. We introduce a framework called Patchscopes and show how it can be used to answer a wide range of questions about an LLM’s computation. We show that many prior interpretability methods based on projecting representations into the vocabulary space and intervening on the LLM computation can be viewed as instances of this framework. Moreover, several of their shortcomings such as failure in inspecting early layers or lack of expressivity can be mitigated by Patchscopes. Beyond unifying prior inspection techniques, Patchscopes also opens up <em>new</em> possibilities such as using a more capable model to explain the representations of a smaller model, and multihop reasoning error correction.
Individualized Privacy Accounting via Subsampling with Applications in Combinatorial Optimization
Authors: Badih Ghazi, Pritish Kamath, Ravi Kumar, Pasin Manurangsi, Adam Sealfon
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: In this work, we give a new technique for analyzing individualized privacy accounting via the following simple observation: if an algorithm is one-sided add-DP, then its subsampled variant satisfies two-sided DP. From this, we obtain several improved algorithms for private combinatorial optimization problems, including decomposable submodular maximization and set cover. Our error guarantees are asymptotically tight and our algorithm satisfies pure-DP while previously known algorithms (Gupta et al., 2010; Chaturvedi et al., 2021) are approximate-DP. We also show an application of our technique beyond combinatorial optimization by giving a pure-DP algorithm for the shifting heavy hitter problem in a stream; previously, only an approximate-DP algorithm was known (Kaplan et al., 2021; Cohen & Lyu, 2023).
State-Constrained Zero-Sum Differential Games with One-Sided Information
Authors: Mukesh Ghimire, Lei Zhang, Zhe Xu, Yi Ren
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: We study zero-sum differential games with state constraints and one-sided information, where the informed player (Player 1) has a categorical payoff type unknown to the uninformed player (Player 2). The goal of Player 1 is to minimize his payoff without violating the constraints, while that of Player 2 is to violate the state constraints if possible, or to maximize the payoff otherwise. One example of the game is a man-to-man matchup in football. Without state constraints, Cardaliaguet (2007) showed that the value of such a game exists and is convex to the common belief of players. Our theoretical contribution is an extension of this result to games with state constraints and the derivation of the primal and dual subdynamic principles necessary for computing behavioral strategies. Different from existing works that are concerned about the scalability of no-regret learning in games with discrete dynamics, our study reveals the underlying structure of strategies for belief manipulation resulting from information asymmetry and state constraints. This structure will be necessary for scalable learning on games with continuous actions and long time windows. We use a simplified football game to demonstrate the utility of this work, where we reveal player positions and belief states in which the attacker should (or should not) play specific random deceptive moves to take advantage of information asymmetry, and compute how the defender should respond.
Understanding Finetuning for Factual Knowledge Extraction
Authors: Gaurav Rohit Ghosal, Tatsunori Hashimoto, Aditi Raghunathan
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: In this work, we study the impact of QA fine-tuning data on downstream factuality. We show that fine-tuning on lesser-known facts that are poorly stored during pretraining yields significantly worse factuality than fine-tuning on well-known facts, even when all facts are seen during pretraining. We prove this phenomenon theoretically, showing that training on lesser-known facts can lead the model to ignore subject entity names and instead output a generic plausible response even when the relevant factual knowledge is encoded in the model. On three question answering benchmarks (PopQA, Entity Questions, and MMLU) and two language models (Llama-2-7B and Mistral-7B), we find that (i) finetuning on a completely factual but lesser-known subset of the data deteriorates downstream factuality (5-10%) and (ii) finetuning on a subset of better-known examples matches or outperforms finetuning on the entire dataset. Ultimately, our results shed light on the interaction between pretrained knowledge and finetuning data and demonstrate the importance of taking into account how facts are stored in the pretrained model when fine-tuning for knowledge-intensive tasks.
A Closer Look at the Limitations of Instruction Tuning
Authors: Sreyan Ghosh, Chandra Kiran Reddy Evuru, Sonal Kumar, Ramaneswaran S, Deepali Aneja, Zeyu Jin, Ramani Duraiswami, Dinesh Manocha
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Instruction Tuning (IT), the process of training large language models (LLMs) using instruction-response pairs, has emerged as the predominant method for transforming base pre-trained LLMs into open-domain conversational agents. While IT has achieved notable success and widespread adoption, its limitations and shortcomings remain underexplored. In this paper, through rigorous experiments and an in-depth analysis of the changes LLMs undergo through IT, we reveal various limitations of IT. In particular, we show that (1) IT fails to enhance knowledge or skills in LLMs. LoRA fine-tuning is limited to learning response initiation and style tokens, and full-parameter fine-tuning leads to knowledge degradation. (2) Copying response patterns from IT datasets derived from knowledgeable sources leads to a decline in response quality. (3) Full-parameter fine-tuning increases hallucination by inaccurately borrowing tokens from conceptually similar instances in the IT dataset for generating responses. (4) Popular methods to improve IT do not lead to performance improvements over a simple LoRA fine-tuned model. Our findings reveal that responses generated solely from pre-trained knowledge consistently outperform responses by models that learn any form of new knowledge from IT on open-source datasets. We hope the insights and challenges revealed in this paper inspire future work in related directions.
Agnostic Learning of Mixed Linear Regressions with EM and AM Algorithms
Authors: Avishek Ghosh, Arya Mazumdar
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Mixed linear regression is a well-studied problem in parametric statistics and machine learning. Given a set of samples, tuples of covariates and labels, the task of mixed linear regression is to find a small list of linear relationships that best fit the samples. Usually it is assumed that the label is generated stochastically by randomly selecting one of two or more linear functions, applying this chosen function to the covariates, and potentially introducing noise to the result. In that situation, the objective is to estimate the ground-truth linear functions up to some parameter error. The popular expectation maximization (EM) and alternating minimization (AM) algorithms have been previously analyzed for this. In this paper, we consider the more general problem of agnostic learning of mixed linear regression from samples, without such generative models. In particular, we show that the AM and EM algorithms, under standard conditions of separability and good initialization, lead to agnostic learning in mixed linear regression by converging to the population loss minimizers, for suitably defined loss functions. In some sense, this shows the strength of AM and EM algorithms that converges to “optimal solutions” even in the absence of realizable generative models.
Optimal Eye Surgeon: Finding image priors through sparse generators at initialization
Authors: Avrajit Ghosh, Xitong Zhang, Kenneth K. Sun, Qing Qu, Saiprasad Ravishankar, Rongrong Wang
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: We introduce Optimal Eye Surgeon (OES), a framework for pruning and training deep image generator networks. Typically, untrained deep convolutional networks, which include image sampling operations, serve as effective image priors. However, they tend to overfit to noise in image restoration tasks due to being overparameterized. OES addresses this by adaptively pruning networks at random initialization to a level of underparameterization. This process effectively captures low-frequency image components even without training, by just masking. When trained to fit noisy image, these pruned subnetworks, which we term Sparse-DIP, resist overfitting to noise. This benefit arises from underparameterization and the regularization effect of masking, constraining them in the manifold of image priors. We demonstrate that subnetworks pruned through OES surpass other leading pruning methods, such as the Lottery Ticket Hypothesis, which is known to be suboptimal for image recovery tasks. Our extensive experiments demonstrate the transferability of OES-masks and the characteristics of sparse-subnetworks for image generation. Code is available at https://github.com/Avra98/Optimal-Eye-Surgeon.
Self-Correcting Self-Consuming Loops for Generative Model Training
Authors: Nate Gillman, Michael Freeman, Daksh Aggarwal, Chia-Hong Hsu, Calvin Luo, Yonglong Tian, Chen Sun
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: As synthetic data becomes higher quality and proliferates on the internet, machine learning models are increasingly trained on a mix of human- and machine-generated data. Despite the successful stories of using synthetic data for representation learning, using synthetic data for generative model training creates “self-consuming loops” which may lead to training instability or even collapse, unless certain conditions are met. Our paper aims to stabilize self-consuming generative model training. Our theoretical results demonstrate that by introducing an idealized correction function, which maps a data point to be more likely under the true data distribution, self-consuming loops can be made <em>exponentially</em> more stable. We then propose self-correction functions, which rely on expert knowledge (e.g. the laws of physics programmed in a simulator), and aim to approximate the idealized corrector automatically and at scale. We empirically validate the effectiveness of self-correcting self-consuming loops on the challenging human motion synthesis task, and observe that it successfully avoids model collapse, even when the ratio of synthetic data to real data is as high as 100%.
Kernel-Based Evaluation of Conditional Biological Sequence Models
Authors: Pierre Glaser, Steffanie Paul, Alissa M Hummer, Charlotte Deane, Debora Susan Marks, Alan Nawzad Amin
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: We propose a set of kernel-based tools to evaluate the designs and tune the hyperparameters of conditional sequence models, with a focus on problems in computational biology. The backbone of our tools is a new measure of discrepancy between the true conditional distribution and the model’s estimate, called the Augmented Conditional Maximum Mean Discrepancy (ACMMD). Provided that the model can be sampled from, the ACMMD can be estimated unbiasedly from data to quantify absolute model fit, integrated within hypothesis tests, and used to evaluate model reliability. We demonstrate the utility of our approach by analyzing a popular protein design model, ProteinMPNN. We are able to reject the hypothesis that ProteinMPNN fits its data for various protein families, and tune the model’s temperature hyperparameter to achieve a better fit.
Better & Faster Large Language Models via Multi-token Prediction
Authors: Fabian Gloeckle, Badr Youbi Idrissi, Baptiste Roziere, David Lopez-Paz, Gabriel Synnaeve
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Large language models such as GPT and Llama are trained with a next-token prediction loss. In this work, we suggest that training language models to predict multiple future tokens at once results in higher sample efficiency. More specifically, at each position in the training corpus, we ask the model to predict the following $n$ tokens using $n$ independent output heads, operating on top of a shared model trunk. Considering multi-token prediction as an auxiliary training task, we measure improved downstream capabilities with no overhead in training time for both code and natural language models. The method is increasingly useful for larger model sizes, and keeps its appeal when training for multiple epochs. Gains are especially pronounced on generative benchmarks like coding, where our models consistently outperform strong baselines by several percentage points. Our 13B parameter models solves 12% more problems on Human Eval and 17% more on MBPP than comparable next-token models. Experiments on small algorithmic tasks demonstrate that multi-token prediction is favorable for the development of induction heads and algorithmic reasoning capabilities. As an additional benefit, models trained with 4-token prediction are up to $3\times$ faster at inference, even with large batch sizes.
All-in-one simulation-based inference
Authors: Manuel Gloeckler, Michael Deistler, Christian Dietrich Weilbach, Frank Wood, Jakob H. Macke
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Amortized Bayesian inference trains neural networks to solve stochastic inference problems using model simulations, thereby making it possible to rapidly perform Bayesian inference for any newly observed data. However, current simulation-based amortized inference methods are simulation-hungry and inflexible: They require the specification of a fixed parametric prior, simulator, and inference tasks ahead of time. Here, we present a new amortized inference method—the Simformer—which overcomes these limitations. By training a probabilistic diffusion model with transformer architectures, the Simformer outperforms current state-of-the-art amortized inference approaches on benchmark tasks and is substantially more flexible: It can be applied to models with function-valued parameters, it can handle inference scenarios with missing or unstructured data, and it can sample arbitrary conditionals of the joint distribution of parameters and data, including both posterior and likelihood. We showcase the performance and flexibility of the Simformer on simulators from ecology, epidemiology, and neuroscience, and demonstrate that it opens up new possibilities and application domains for amortized Bayesian inference on simulation-based models.
Position: Fundamental Limitations of LLM Censorship Necessitate New Approaches
Authors: David Glukhov, Ilia Shumailov, Yarin Gal, Nicolas Papernot, Vardan Papyan
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Large language models (LLMs) have exhibited impressive capabilities in comprehending complex instructions. However, their blind adherence to provided instructions has led to concerns regarding risks of malicious use. Existing defence mechanisms, such as model fine-tuning or output censorship methods have proven to be fallible at ensuring that LLMs do not return semantically impermissible responses. We present fundamental limitations of verifying the semantic properties of LLM outputs and identifying compositional threats, illustrating inherent challenges of current approaches to censoring LLM outputs. Specifically, we demonstrate that semantic censorship can be perceived as an undecidable problem, and semantic properties of LLM outputs can become impossible to verify when the LLM is capable of providing "encrypted" outputs. We further show challenges of censorship can extend beyond just semantic censorship, as attackers can reconstruct impermissible outputs from a collection of permissible ones. Consequently, we call for a re-evaluation of the problem of censorship and its goals, stressing the need for new definitions and approaches to censorship. In addition, we provide an initial attempt toward achieving this goal through syntactic censorship, drawing from a security perspective to design censorship methods that can provide guarantees.
Position: The No Free Lunch Theorem, Kolmogorov Complexity, and the Role of Inductive Biases in Machine Learning
Authors: Micah Goldblum, Marc Anton Finzi, Keefer Rowan, Andrew Gordon Wilson
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: No free lunch theorems for supervised learning state that no learner can solve all problems or that all learners achieve exactly the same accuracy on average over a uniform distribution on learning problems. Accordingly, these theorems are often referenced in support of the notion that individual problems require specially tailored inductive biases. While virtually all uniformly sampled datasets have high complexity, real-world problems disproportionately generate low-complexity data, and we argue that neural network models share this same preference, formalized using Kolmogorov complexity. Notably, we show that architectures designed for a particular domain, such as computer vision, can compress datasets on a variety of seemingly unrelated domains. Our experiments show that pre-trained and even randomly initialized language models prefer to generate low-complexity sequences. Whereas no free lunch theorems seemingly indicate that individual problems require specialized learners, we explain how tasks that often require human intervention such as picking an appropriately sized model when labeled data is scarce or plentiful can be automated into a single learning algorithm. These observations justify the trend in deep learning of unifying seemingly disparate problems with an increasingly small set of machine learning models.
CasCast: Skillful High-resolution Precipitation Nowcasting via Cascaded Modelling
Authors: Junchao Gong, Lei Bai, Peng Ye, Wanghan Xu, Na Liu, Jianhua Dai, Xiaokang Yang, Wanli Ouyang
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Precipitation nowcasting based on radar data plays a crucial role in extreme weather prediction and has broad implications for disaster management. Despite progresses have been made based on deep learning, two key challenges of precipitation nowcasting are not well-solved: (i) the modeling of complex precipitation system evolutions with different scales, and (ii) accurate forecasts for extreme precipitation. In this work, we propose CasCast, a cascaded framework composed of a deterministic and a probabilistic part to decouple the predictions for mesoscale precipitation distributions and small-scale patterns. Then, we explore training the cascaded framework at the high resolution and conducting the probabilistic modeling in a low dimensional latent space with a frame-wise-guided diffusion transformer for enhancing the optimization of extreme events while reducing computational costs. Extensive experiments on three benchmark radar precipitation datasets show that CasCast achieves competitive performance. Especially, CasCast significantly surpasses the baseline (up to +91.8%) for regional extreme-precipitation nowcasting.
Does Label Smoothing Help Deep Partial Label Learning?
Authors: Xiuwen Gong, Nitin Bisht, Guandong Xu
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Although deep partial label learning (deep PLL) classifiers have shown their competitive performance, they are heavily influenced by the noisy false-positive labels leading to poorer performance as the training progresses. Meanwhile, existing deep PLL research lacks theoretical guarantee on the analysis of correlation between label noise (or ambiguity degree) and classification performance. This paper addresses the above limitations with label smoothing (LS) from both theoretical and empirical aspects. In theory, we prove lower and upper bounds of the expected risk to show that label smoothing can help deep PLL. We further derive the optimal smoothing rate to investigate the conditions, i.e., when label smoothing benefits deep PLL. In practice, we design a benchmark solution and a novel optimization algorithm called Label Smoothing-based Partial Label Learning (LS-PLL). Extensive experimental results on benchmark PLL datasets and various deep architectures validate that label smoothing does help deep PLL in improving classification performance and learning distinguishable representations, and the best results can be achieved when the empirical smoothing rate approximately approaches the optimal smoothing rate in theoretical findings. Code is publicly available at https://github.com/kalpiree/LS-PLL.
AST-T5: Structure-Aware Pretraining for Code Generation and Understanding
Authors: Linyuan Gong, Mostafa Elhoushi, Alvin Cheung
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Large language models (LLMs) have made significant advancements in code-related tasks, yet many LLMs treat code as simple sequences, neglecting its structured nature. We introduce AST-T5, a novel pretraining paradigm that leverages the Abstract Syntax Tree (AST) for enhanced code generation, transpilation, and understanding. Using dynamic programming, our AST-Aware Segmentation retains code structure, while our AST-Aware Span Corruption objective equips the model to reconstruct various code structures. Unlike other models, AST-T5 avoids complex program analyses or architectural changes, so it integrates seamlessly with any encoder-decoder Transformer. Evaluations show that AST-T5 consistently outperforms similar-sized LMs across various code-related tasks including HumanEval and MBPP. Structure-awareness makes AST-T5 particularly powerful in code-to-code tasks, surpassing CodeT5 by 2 points in exact match score for the Bugs2Fix task and by 3 points in exact match score for Java-C# Transpilation in CodeXGLUE. Our code and model are publicly available at https://github.com/gonglinyuan/ast_t5.
A Nearly Optimal Single Loop Algorithm for Stochastic Bilevel Optimization under Unbounded Smoothness
Authors: Xiaochuan Gong, Jie Hao, Mingrui Liu
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: This paper studies the problem of stochastic bilevel optimization where the upper-level function is nonconvex with potentially unbounded smoothness and the lower-level function is strongly convex. This problem is motivated by meta-learning applied to sequential data, such as text classification using recurrent neural networks, where the smoothness constant of the upper-level loss function scales linearly with the gradient norm and can be potentially unbounded. Existing algorithm crucially relies on the nested loop design, which requires significant tuning efforts and is not practical. In this paper, we address this issue by proposing a Single Loop bIlevel oPtimizer (SLIP). The proposed algorithm first updates the lower-level variable by a few steps of stochastic gradient descent, and then simultaneously updates the upper-level variable by normalized stochastic gradient descent with momentum and the lower-level variable by stochastic gradient descent. Under standard assumptions, we show that our algorithm finds an $ε$-stationary point within $\widetildeO(1/ε^4)$[Here $\widetildeO(·)$ compresses logarithmic factors of $1/ε$ and $1/δ$, where $δın(0,1)$ denotes the failure probability.] oracle calls of stochastic gradient or Hessian-vector product, both in expectation and with high probability. This complexity result is nearly optimal up to logarithmic factors without mean-square smoothness of the stochastic gradient oracle. Our proof relies on (i) a refined characterization and control of the lower-level variable and (ii) establishing a novel connection between bilevel optimization and stochastic optimization under distributional drift. Our experiments on various tasks show that our algorithm significantly outperforms strong baselines in bilevel optimization.
Evolution-Inspired Loss Functions for Protein Representation Learning
Authors: Chengyue Gong, Adam Klivans, James Madigan Loy, Tianlong Chen, Qiang Liu, Daniel Jesus Diaz
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: AI-based frameworks for protein engineering use self-supervised learning (SSL) to obtain representations for downstream mutation effect predictions. The most common training objective for these methods is wildtype accuracy: given a sequence or structure where a wildtype residue has been masked, predict the missing amino acid. Wildtype accuracy, however, does not align with the primary goal of protein engineering, which is to suggest a mutation rather than to identify what already appears in nature. Here we present Evolutionary Ranking (EvoRank), a training objective that incorporates evolutionary information derived from multiple sequence alignments (MSAs) to learn more diverse protein representations. EvoRank corresponds to ranking amino-acid likelihoods in the probability distribution induced by an MSA. This objective forces models to learn the underlying evolutionary dynamics of a protein. Across a variety of phenotypes and datasets, we demonstrate that EvoRank leads to dramatic improvements in zero-shot performance and can compete with models fine-tuned on experimental data. This is particularly important in protein engineering, where it is expensive to obtain data for fine-tuning.
Evaluation of LLMs on Syntax-Aware Code Fill-in-the-Middle Tasks
Authors: Linyuan Gong, Sida Wang, Mostafa Elhoushi, Alvin Cheung
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: We introduce <b>S</b>yntax-<b>A</b>ware <b>F</b>ill-<b>i</b>n-the-<b>M</b>iddle (SAFIM), a new benchmark for evaluating Large Language Models (LLMs) on the code Fill-in-the-Middle (FIM) task. This benchmark focuses on syntax-aware completions of program structures such as code blocks and conditional expressions, and includes 17,720 examples from multiple programming languages, sourced from recent code submissions after April 2022 to minimize data contamination. SAFIM provides a robust framework with various prompt designs and novel syntax-aware post-processing techniques, facilitating accurate and fair comparisons across LLMs. Our comprehensive evaluation of 15 LLMs shows that FIM pretraining not only enhances FIM proficiency but also improves Left-to-Right (L2R) inference using LLMs. Our findings challenge conventional beliefs and suggest that pretraining methods and data quality have more impact than model size. SAFIM thus serves as a foundational platform for future research in effective pretraining strategies for code LLMs. The evaluation toolkit and dataset are available at https://github.com/gonglinyuan/safim, and the leaderboard is available at https://safimbenchmark.com.
E$^2$GAN: Efficient Training of Efficient GANs for Image-to-Image Translation
Authors: Yifan Gong, Zheng Zhan, Qing Jin, Yanyu Li, Yerlan Idelbayev, Xian Liu, Andrey Zharkov, Kfir Aberman, Sergey Tulyakov, Yanzhi Wang, Jian Ren
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: One highly promising direction for enabling flexible real-time on-device image editing is utilizing data distillation by leveraging large-scale text-to-image diffusion models to generate paired datasets used for training generative adversarial networks (GANs). This approach notably alleviates the stringent requirements typically imposed by high-end commercial GPUs for performing image editing with diffusion models. However, unlike text-to-image diffusion models, each distilled GAN is specialized for a specific image editing task, necessitating costly training efforts to obtain models for various concepts. In this work, we introduce and address a novel research direction: can the process of distilling GANs from diffusion models be made significantly more efficient? To achieve this goal, we propose a series of innovative techniques. First, we construct a base GAN model with generalized features, adaptable to different concepts through fine-tuning, eliminating the need for training from scratch. Second, we identify crucial layers within the base GAN model and employ Low-Rank Adaptation (LoRA) with a simple yet effective rank search process, rather than fine-tuning the entire base model. Third, we investigate the minimal amount of data necessary for fine-tuning, further reducing the overall training time. Extensive experiments show that we can efficiently empower GANs with the ability to perform real-time high-quality image editing on mobile devices with remarkably reduced training and storage costs for each concept.
High-Probability Convergence for Composite and Distributed Stochastic Minimization and Variational Inequalities with Heavy-Tailed Noise
Authors: Eduard Gorbunov, Abdurakhmon Sadiev, Marina Danilova, Samuel Horváth, Gauthier Gidel, Pavel Dvurechensky, Alexander Gasnikov, Peter Richtárik
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: High-probability analysis of stochastic first-order optimization methods under mild assumptions on the noise has been gaining a lot of attention in recent years. Typically, gradient clipping is one of the key algorithmic ingredients to derive good high-probability guarantees when the noise is heavy-tailed. However, if implemented naively, clipping can spoil the convergence of the popular methods for composite and distributed optimization (Prox-SGD/Parallel SGD) even in the absence of any noise. Due to this reason, many works on high-probability analysis consider only unconstrained non-distributed problems, and the existing results for composite/distributed problems do not include some important special cases (like strongly convex problems) and are not optimal. To address this issue, we propose new stochastic methods for composite and distributed optimization based on the clipping of stochastic gradient differences and prove tight high-probability convergence results (including nearly optimal ones) for the new methods. In addition, we also develop new methods for composite and distributed variational inequalities and analyze the high-probability convergence of these methods.