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Deep Learning · Large Language Models

Vage Egiazarian, Andrei Panferov, Denis Kuznedelev, Elias Frantar, Artem Babenko, Dan Alistarh

The emergence of accurate open large language models (LLMs) has led to a race towards performant quantization techniques which can enable their execution on end-user devices. In this paper, we revisit the problem of ``extreme'' LLM compression---defined as targeting extremely low bit counts, such as 2 to 3 bits per parameter---from the point of view of classic methods in Multi-Codebook Quantization (MCQ). Our algorithm, called AQLM, generalizes the classic *Additive Quantization (AQ)* approach for information retrieval to advance the state-of-the-art in LLM compression, via two innovations: 1) learned additive quantization of weight matrices in input-adaptive fashion, and 2) joint optimization of codebook parameters across each transformer blocks. Broadly, AQLM is the first scheme that is Pareto optimal in terms of accuracy-vs-model-size when compressing to less than 3 bits per parameter, and significantly improves upon all known schemes in the extreme compression (2bit) regime. In addition, AQLM is practical: we provide fast GPU and CPU implementations of AQLM for token generation, which enable us to match or outperform optimized FP16 implementations for speed, while executing in a much smaller memory footprint.

Optimization · Stochastic

Ionut-Vlad Modoranu, Aleksei Kalinov, Eldar Kurtic, Elias Frantar, Dan Alistarh

Leveraging second-order information about the loss at the scale of deep networks is one of the main lines of approach for improving the performance of current optimizers for deep learning. Yet, existing approaches for accurate full-matrix preconditioning, such as Full-Matrix Adagrad (GGT) or Matrix-Free Approximate Curvature (M-FAC) suffer from massive storage costs when applied even to small-scale models, as they must store a sliding window of gradients, whose memory requirements are multiplicative in the model dimension. In this paper, we address this issue via a novel and efficient error-feedback technique that can be applied to compress preconditioners by up to two orders of magnitude in practice, without loss of convergence. Specifically, our approach compresses the gradient information via sparsification or low-rank compression before it is fed into the preconditioner, feeding the compression error back into future iterations. Extensive experiments on deep neural networks show that this approach can compress full-matrix preconditioners to up to 99% sparsity without accuracy loss, effectively removing the memory overhead of fullmatrix preconditioners such as GGT and M-FAC.

Social Aspects · Accountability, Transparency and Interpretability

Arshia Soltani Moakhar, Eugenia Iofinova, Elias Frantar, Dan Alistarh

It is known that sparsity can improve interpretability for deep neural networks. However, existing methods in the area either require networks that are pre-trained with sparsity constraints, or impose sparsity after the fact, altering the network's general behavior. In this paper, we demonstrate, for the first time, that sparsity can instead be incorporated into the interpretation process itself, as a sample-specific preprocessing step. Unlike previous work, this approach, which we call SPADE, does not place constraints on the trained model and does not affect its behavior during inference on the sample. Given a trained model and a target sample, SPADE uses sample-targeted pruning to provide a "trace" of the network's execution on the sample, reducing the network to the most important connections prior to computing an interpretation. We demonstrate that preprocessing with SPADE significantly increases the accuracy of image saliency maps across several interpretability methods. Additionally, SPADE improves the usefulness of neuron visualizations, aiding humans in reasoning about network behavior. Our code is available at https://github.com/IST-DASLab/SPADE.

Deep Learning · Other Representation Learning

Rui Wang, Elyssa Hofgard, Han Gao, Robin Walters, Tess Smidt

Modeling symmetry breaking is essential for understanding the fundamental changes in the behaviors and properties of physical systems, from microscopic particle interactions to macroscopic phenomena like fluid dynamics and cosmic structures. Thus, identifying sources of asymmetry is an important tool for understanding physical systems. In this paper, we focus on learning asymmetries of data using relaxed group convolutions. We provide both theoretical and empirical evidence that this flexible convolution technique allows the model to maintain the highest level of equivariance that is consistent with data and discover the subtle symmetry-breaking factors in various physical systems. We employ various relaxed group convolution architectures to uncover various symmetry-breaking factors that are interpretable and physically meaningful in different physical systems, including the phase transition of crystal structure, the isotropy and homogeneity breaking in turbulent flow, and the time-reversal symmetry breaking in pendulum systems.

Katie Everett, Lechao Xiao, Mitchell Wortsman, Alexander Alemi, Roman Novak, Peter Liu, Izzeddin Gur, Jascha Sohl-Dickstein, Leslie Kaelbling, Jaehoon Lee 等

Robust and effective scaling of models from small to large width typically requires the precise adjustment of many algorithmic and architectural details, such as parameterization and optimizer choices. In this work, we propose a new perspective on parameterization by investigating a key assumption in prior work about the alignment between parameters and data and derive new theoretical results under weaker assumptions and a broader set of optimizers. Our extensive empirical investigation includes *tens of thousands* of models trained with *all combinations of* three optimizers, four parameterizations, several alignment assumptions, more than a dozen learning rates, and fourteen model sizes up to 27B parameters. We find that the best learning rate scaling prescription would often have been excluded by the assumptions in prior work. Our results show that all parameterizations, not just maximal update parameterization (muP), can achieve hyperparameter transfer; moreover, our novel per-layer learning rate prescription for standard parameterization outperforms muP. Finally, we demonstrate that an overlooked aspect of parameterization, the epsilon parameter in Adam, must be scaled correctly to avoid gradient underflow and propose *Adam-atan2*, a new numerically stable, scale-invariant version of Adam that eliminates the epsilon hyperparameter entirely.

Optimization · Everything Else

Shaokun Zhang, Jieyu Zhang, Jiale Liu, Linxin Song, Chi Wang, Ranjay Krishna, Qingyun Wu

Researchers and practitioners have recently reframed powerful Large Language Models (LLMs) as *agents*, enabling them to automate complex tasks largely via the use of specialized functions. To facilitate the development of LLM agents, we present a novel paradigm of training LLM agents without modifying the LLM weights, which is particularly useful when the LLMs are difficult or inaccessible for modifications. Inspired by how humans continuously forge tools to adapt to real-world tasks, rather than change our biological structure to fit a static set of tools, we propose to progressively forge agent's functions to better solve the downstream tasks instead of modifying the LLM weights. By treating the functions as learnable `agent parameters' and leveraging the fundamental idea of model training in artificial intelligence, we develop AgentOptimizer that employs the LLM to update agents' functions and devise an *agent training* algorithm with two strategies, roll-back, and early-stop, to streamline the training process. With extensive experiments, we showcase that the agent training paradigm could significantly improve the performance of representative LLM agents in various downstream tasks. We also study the behavior of the agent training regarding aspects like the learning curve and domain transferability.

Probabilistic Methods · Monte Carlo and Sampling Methods

Yifeng Tian, Nishant Panda, Yen Ting Lin

We present the Liouville Flow Importance Sampler (LFIS), an innovative flow-based model for generating samples from unnormalized density functions. LFIS learns a time-dependent velocity field that deterministically transports samples from a simple initial distribution to a complex target distribution, guided by a prescribed path of annealed distributions. The training of LFIS utilizes a unique method that enforces the structure of a derived partial differential equation to neural networks modeling velocity fields. By considering the neural velocity field as an importance sampler, sample weights can be computed through accumulating errors along the sample trajectories driven by neural velocity fields, ensuring unbiased and consistent estimation of statistical quantities. We demonstrate the effectiveness of LFIS through its application to a range of benchmark problems, on many of which LFIS achieved state-of-the-art performance.

Social Aspects · Trustworthy Machine Learning

Yihao Zhang, Hangzhou He, Jingyu Zhu, Huanran Chen, Yifei Wang, Zeming Wei

Adversarial Training (AT), which adversarially perturb the input samples during training, has been acknowledged as one of the most effective defenses against adversarial attacks, yet suffers from inevitably decreased clean accuracy. Instead of perturbing the samples, Sharpness-Aware Minimization (SAM) perturbs the model weights during training to find a more flat loss landscape and improve generalization. However, as SAM is designed for better clean accuracy, its effectiveness in enhancing adversarial robustness remains unexplored. In this work, considering the duality between SAM and AT, we investigate the adversarial robustness derived from SAM. Intriguingly, we find that using SAM alone can improve adversarial robustness. To understand this unexpected property of SAM, we first provide empirical and theoretical insights into how SAM can implicitly learn more robust features, and conduct comprehensive experiments to show that SAM can improve adversarial robustness notably without sacrificing any clean accuracy, shedding light on the potential of SAM to be a substitute for AT when accuracy comes at a higher priority. Code is available at https://github.com/weizeming/SAM_AT.

Sidharth Mudgal, Jong Lee, Harish Ganapathy, YaGuang Li, Tao Wang, Yanping Huang, Zhifeng Chen, Heng-Tze Cheng, Michael Collins, Trevor Strohman 等

KL-regularized reinforcement learning (RL) is a popular alignment framework to control the language model responses towards high reward outcomes. We pose a tokenwise RL objective and propose a modular solver for it, called *controlled decoding (CD)*. CD exerts control through a separate *prefix scorer* module, which is trained to learn a value function for the reward. The prefix scorer is used at inference time to control the generation from a frozen base model, provably sampling from a solution to the RL objective. We empirically demonstrate that CD is effective as a control mechanism on popular benchmarks. We also show that prefix scorers for multiple rewards may be combined at inference time, effectively solving a multi-objective RL problem with no additional training. We show that the benefits of applying CD transfer to an unseen base model with no further tuning as well. Finally, we show that CD can be applied in a blockwise decoding fashion at inference-time, essentially bridging the gap between the popular best-of-$K$ strategy and tokenwise control through reinforcement learning. This makes CD a promising approach for alignment of language models.

Deep Learning · Generative Models and Autoencoders

Nikita Gushchin, Sergei Kholkin, Evgeny Burnaev, Alexander Korotin

Schrödinger Bridges (SB) have recently gained the attention of the ML community as a promising extension of classic diffusion models which is also interconnected to the Entropic Optimal Transport (EOT). Recent solvers for SB exploit the pervasive bridge matching procedures. Such procedures aim to recover a stochastic process transporting the mass between distributions given only a transport plan between them. In particular, given the EOT plan, these procedures can be adapted to solve SB. This fact is heavily exploited by recent works giving rives to matching-based SB solvers. The cornerstone here is recovering the EOT plan: recent works either use heuristical approximations (e.g., the minibatch OT) or establish iterative matching procedures which by the design accumulate the error during the training. We address these limitations and propose a novel procedure to learn SB which we call the **optimal Schrödinger bridge matching**. It exploits the optimal parameterization of the diffusion process and provably recovers the SB process **(a)** with a single bridge matching step and **(b)** with arbitrary transport plan as the input. Furthermore, we show that the optimal bridge matching objective coincides with the recently discovered energy-based modeling (EBM) objectives to learn EOT/SB. Inspired by this observation, we develop a light solver (which we call LightSB-M) to implement optimal matching in practice using the Gaussian mixture parameterization of the adjusted Schrödinger potential. We experimentally showcase the performance of our solver in a range of practical tasks.

Probabilistic Methods · Variational Inference

Yuesong Shen, Nico Daheim, Bai Cong, Peter Nickl, Gian Maria Marconi, Bazan Raoul, Rio Yokota, Iryna Gurevych, Daniel Cremers, Khan Emtiyaz 等

We give extensive empirical evidence against the common belief that variational learning is ineffective for large neural networks. We show that an optimizer called Improved Variational Online Newton (IVON) consistently matches or outperforms Adam for training large networks such as GPT-2 and ResNets from scratch. IVON's computational costs are nearly identical to Adam but its predictive uncertainty is better. We show several new use cases of IVON where we improve finetuning and model merging in Large Language Models, accurately predict generalization error, and faithfully estimate sensitivity to data. We find overwhelming evidence that variational learning is effective. Code is available at https://github.com/team-approx-bayes/ivon.

Probabilistic Methods · Gaussian Processes

Noémie Jaquier, Leonel Rozo, Miguel González-Duque, Slava Borovitskiy, Tamim Asfour

Human motion taxonomies serve as high-level hierarchical abstractions that classify how humans move and interact with their environment. They have proven useful to analyse grasps, manipulation skills, and whole-body support poses. Despite substantial efforts devoted to design their hierarchy and underlying categories, their use remains limited. This may be attributed to the lack of computational models that fill the gap between the discrete hierarchical structure of the taxonomy and the high-dimensional heterogeneous data associated to its categories. To overcome this problem, we propose to model taxonomy data via hyperbolic embeddings that capture the associated hierarchical structure. We achieve this by formulating a novel Gaussian process hyperbolic latent variable model that incorporates the taxonomy structure through graph-based priors on the latent space and distance-preserving back constraints. We validate our model on three different human motion taxonomies to learn hyperbolic embeddings that faithfully preserve the original graph structure. We show that our model properly encodes unseen data from existing or new taxonomy categories, and outperforms its Euclidean and VAE-based counterparts. Finally, through proof-of-concept experiments, we show that our model may be used to generate realistic trajectories between the learned embeddings.

Deep Learning · Theory

Can Yaras, Peng Wang, Laura Balzano, Qing Qu

While overparameterization in machine learning models offers great benefits in terms of optimization and generalization, it also leads to increased computational requirements as model sizes grow. In this work, we show that by leveraging the inherent low-dimensional structures of data and compressible dynamics within the model parameters, we can reap the benefits of overparameterization without the computational burdens. In practice, we demonstrate the effectiveness of this approach for deep low-rank matrix completion as well as fine-tuning language models. Our approach is grounded in theoretical findings for deep overparameterized low-rank matrix recovery, where we show that the learning dynamics of each weight matrix are confined to an invariant low-dimensional subspace. Consequently, we can construct and train compact, highly compressed factorizations possessing the same benefits as their overparameterized counterparts. In the context of deep matrix completion, our technique substantially improves training efficiency while retaining the advantages of overparameterization. For language model fine-tuning, we propose a method called "Deep LoRA", which improves the existing low-rank adaptation (LoRA) technique, leading to reduced overfitting and a simplified hyperparameter setup, while maintaining comparable efficiency. We validate the effectiveness of Deep LoRA on natural language tasks, particularly when fine-tuning with limited data.

Social Aspects · Trustworthy Machine Learning

YANRAN WANG, QIUCHEN QIAN, David Boyle

Reinforcement learning can provide effective reasoning for sequential decision-making problems with variable dynamics. Such reasoning in practical implementation, however, poses a persistent challenge in interpreting the reward function and the corresponding optimal policy. Consequently, representing sequential decision-making problems as probabilistic inference can have considerable value, as, in principle, the inference offers diverse and powerful mathematical tools to infer the stochastic dynamics whilst suggesting a probabilistic interpretation of policy optimization. In this study, we propose a novel Adaptive Wasserstein Variational Optimization, namely AWaVO, to tackle these interpretability challenges. Our approach uses formal methods to achieve the interpretability: convergence guarantee, training transparency, and intrinsic decision-interpretation. To demonstrate its practicality, we showcase guaranteed interpretability including a global convergence rate $\Theta(1/\sqrt{T})$ not only in simulation but also in real-world quadrotor tasks. In comparison with state-of-the-art benchmarks, including TRPO-IPO, PCPO, and CRPO, we empirically verify that AWaVO offers a reasonable trade-off between high performance and sufficient interpretability.

Theory · Learning Theory

Thanh Nguyen-Tang, Raman Arora

We study the statistical complexity of offline decision-making with function approximation, establishing (near) minimax-optimal rates for stochastic contextual bandits and Markov decision processes. The performance limits are captured by the pseudo-dimension of the (value) function class and a new characterization of the behavior policy that *strictly* subsumes all the previous notions of data coverage in the offline decision-making literature. In addition, we seek to understand the benefits of using offline data in online decision-making and show nearly minimax-optimal rates in a wide range of regimes.

Deep Learning · Large Language Models

Fahim Tajwar, Anikait Singh, Archit Sharma, Rafael Rafailov, Jeff Schneider, Tengyang Xie, Stefano Ermon, Chelsea Finn, Aviral Kumar

Learning from preference labels plays a crucial role in fine-tuning large language models --- this is done via supervised learning, on-policy reinforcement learning (RL), or contrastive learning. Different methods come with different implementation tradeoffs, and existing empirical findings present different conclusions, for instance, some results show that online RL is quite important to attain good fine-tuning results, while others find offline methods sufficient. This raises a question: **what kind of approaches are important for fine-tuning with preference data and why?** In this paper, we answer this question by performing a rigorous analysis of a number of fine-tuning techniques on didactic and full-scale LLM problems. Our main finding is that approaches that use on-policy sampling and attempt to push down the likelihood on certain responses (i.e., employ a ''negative gradient'') outperform offline and maximum likelihood objectives. We conceptualize our insights and unify methods that use on-policy sampling or negative gradient under a notion of mode-seeking objectives for categorical distributions. Mode-seeking objectives are able to alter probability mass on specific bins of a categorical distribution at a fast rate compared to maximum likelihood, allowing them to relocate masses across bins more effectively. Our analysis prescribes actionable insights for preference fine-tuning of LLMs and informs how data should be collected for maximal improvement.

Social Aspects · Accountability, Transparency and Interpretability

Aaron Li, Robin Netzorg, Zhihan Cheng, Zhuoqin Zhang, Bin Yu

In recent years, work has gone into developing deep interpretable methods for image classification that clearly attributes a model's output to specific features of the data. One such of these methods is the Prototypical Part Network (ProtoPNet), which attempts to classify images based on meaningful parts of the input. While this architecture is able to produce visually interpretable classifications, it often learns to classify based on parts of the image that are not semantically meaningful. To address this problem, we propose the Reward Reweighing, Reselecting, and Retraining (R3) post-processing framework, which performs three additional corrective updates to a pretrained ProtoPNet in an offline and efficient manner. The first two steps involve learning a reward model based on collected human feedback and then aligning the prototypes with human preferences. The final step is retraining, which realigns the base features and the classifier layer of the original model with the updated prototypes. We find that our R3 framework consistently improves both the interpretability and the predictive accuracy of ProtoPNet and its variants.

Reinforcement Learning · Inverse

Silvia Sapora, Gokul Swamy, Christopher Lu, Yee-Whye Teh, Jakob Foerster

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 *inverse reinforcement learning* (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, *(a)* we find that modern deep IL algorithms frequently recover rewards which induce policies far weaker than the expert, *even in the same environment the demonstrations were collected in*. Furthermore, *(b)* 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 *(a)*, we find that *reward model ensembles* combined with a slightly different training objective significantly improves re-training and transfer performance. For *(b)*, we propose a novel *evolution-strategies* 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.

Kaizhao Liu, Jose Blanchet, Lexing Ying, Yiping Lu

Bootstrap is a popular methodology for simulating input uncertainty. However, it can be computationally expensive when the number of samples is large. We propose a new approach called **Orthogonal Bootstrap** that reduces the number of required Monte Carlo replications. We decomposes the target being simulated into two parts: the *non-orthogonal part* which has a closed-form result known as Infinitesimal Jackknife and the *orthogonal part* which is easier to be simulated. We theoretically and numerically show that Orthogonal Bootstrap significantly reduces the computational cost of Bootstrap while improving empirical accuracy and maintaining the same width of the constructed interval.

Social Aspects · Trustworthy Machine Learning

Vinu Sankar Sadasivan, Shoumik Saha, Gaurang Sriramanan, Priyatham Kattakinda, Atoosa Malemir Chegini, Soheil Feizi

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 $\sim$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.