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Stepping on the Edge: Curvature Aware Learning Rate Tuners

Neural Information Processing Systems

Curvature information -- particularly, the largest eigenvalue of the lossHessian, known as the sharpness -- often forms the basis for learning ratetuners. However, recent work has shown that the curvature information undergoescomplex dynamics during training, going from a phase of increasing sharpness toeventual stabilization. We analyze the closed-loop feedback effect betweenlearning rate tuning and curvature. We find that classical learning rate tunersmay yield greater one-step loss reduction, yet they ultimately underperform inthe long term when compared to constant learning rates in the full batch regime.These models break the stabilization of the sharpness, which we explain using asimplified model of the joint dynamics of the learning rate and the curvature.To further investigate these effects, we introduce a new learning rate tuningmethod, Curvature Dynamics Aware Tuning (CDAT), which prioritizes long termcurvature stabilization over instantaneous progress on the objective. In thefull batch regime, CDAT shows behavior akin to prefixed warm-up schedules on deeplearning objectives, outperforming tuned constant learning rates. In the minibatch regime, we observe that stochasticity introduces confounding effects thatexplain the previous success of some learning rate tuners at appropriate batchsizes. Our findings highlight the critical role of understanding the jointdynamics of the learning rate and curvature, beyond greedy minimization, todiagnose failures and design effective adaptive learning rate tuners.


Unleashing the Denoising Capability of Diffusion Prior for Solving Inverse Problems

Neural Information Processing Systems

The recent emergence of diffusion models has significantly advanced the precision of learnable priors, presenting innovative avenues for addressing inverse problems. Previous works have endeavored to integrate diffusion priors into the maximum a posteriori estimation (MAP) framework and design optimization methods to solve the inverse problem. However, prevailing optimization-based rithms primarily exploit the prior information within the diffusion models while neglecting their denoising capability. To bridge this gap, this work leverages the diffusion process to reframe noisy inverse problems as a two-variable constrained optimization task by introducing an auxiliary optimization variable that represents a'noisy' sample at an equivalent denoising step. The projection gradient descent method is efficiently utilized to solve the corresponding optimization problem by truncating the gradient through the $\mu$-predictor. The proposed algorithm, termed ProjDiff, effectively harnesses the prior information and the denoising capability of a pre-trained diffusion model within the optimization framework. Extensive experiments on the image restoration tasks and source separation and partial generation tasks demonstrate that ProjDiff exhibits superior performance across various linear and nonlinear inverse problems, highlighting its potential for practical applications.


Generalized Tensor Decomposition for Understanding Multi-Output Regression under Combinatorial Shifts

Neural Information Processing Systems

In multi-output regression, we identify a previously neglected challenge that arises from the inability of training distribution to cover all combinations of input features, leading to combinatorial distribution shift (CDS). To the best of our knowledge, this is the first work to formally define and address this problem. We tackle it through a novel tensor decomposition perspective, proposing the Functional t-Singular Value Decomposition (Ft-SVD) theorem which extends the classical tensor SVD to infinite and continuous feature domains, providing a natural tool for representing and analyzing multi-output functions. Within the Ft-SVD framework, we formulate the multi-output regression problem under CDS as a low-rank tensor estimation problem under the missing not at random (MNAR) setting, and introduce a series of assumptions about the true functions, training and testing distributions, and spectral properties of the ground-truth embeddings, making the problem more tractable.To address the challenges posed by CDS in multi-output regression, we develop a tailored Double-Stage Empirical Risk Minimization (ERM-DS) algorithm that leverages the spectral properties of the embeddings and uses specific hypothesis classes in each frequency component to better capture the varying spectral decay patterns. We provide rigorous theoretical analyses that establish performance guarantees for the ERM-DS algorithm. This work lays a preliminary theoretical foundation for multi-output regression under CDS.


The Hypocrisy at the Heart of the AI Industry

The Atlantic - Technology

Tech companies believe in intellectual property, but not yours. In April 2024, Eric Schmidt, the former Google CEO and a current AI evangelist, gave a closed-door lecture to a group of Stanford students. If these young people hoped to be Silicon Valley entrepreneurs, Schmidt explained, then they should be prepared to breach some ethical boundaries. Yet Schmidt told the students to go ahead and download whatever they need to build an accurate "test" version of their AI product. If the product takes off, "then you hire a whole bunch of lawyers to go clean the mess up," he said.


Satformer: Accurate and Robust Traffic Data Estimation for Satellite Networks

Neural Information Processing Systems

The operations and maintenance of satellite networks heavily depend on traffic measurements. Due to the large-scale and highly dynamic nature of satellite networks, global measurement encounters significant challenges in terms of complexity and overhead. Estimating global network traffic data from partial traffic measurements is a promising solution. However, the majority of current estimation methods concentrate on low-rank linear decomposition, which is unable to accurately estimate. The reason lies in its inability to capture the intricate nonlinear spatio-temporal relationship found in large-scale, highly dynamic traffic data.


Expert-level protocol translation for self-driving labs

Neural Information Processing Systems

Recent development in Artificial Intelligence (AI) models has propelled their application in scientific discovery, but the validation and exploration of these discoveries require subsequent empirical experimentation. The concept of self-driving laboratories promises to automate and thus boost the experimental process following AI-driven discoveries. However, the transition of experimental protocols, originally crafted for human comprehension, into formats interpretable by machines presents significant challenges, which, within the context of specific expert domain, encompass the necessity for structured as opposed to natural language, the imperative for explicit rather than tacit knowledge, and the preservation of causality and consistency throughout protocol steps. Presently, the task of protocol translation predominantly requires the manual and labor-intensive involvement of domain experts and information technology specialists, rendering the process time-intensive. To address these issues, we propose a framework that automates the protocol translation process through a three-stage workflow, which incrementally constructs Protocol Dependence Graphs (PDGs) that approach structured on the syntax level, completed on the semantics level, and linked on the execution level. Quantitative and qualitative evaluations have demonstrated its performance at par with that of human experts, underscoring its potential to significantly expedite and democratize the process of scientific discovery by elevating the automation capabilities within self-driving laboratories.


Improved Distribution Matching Distillation for Fast Image Synthesis

Neural Information Processing Systems

Recent approaches have shown promises distilling expensive diffusion models into efficient one-step generators.Amongst them, Distribution Matching Distillation (DMD) produces one-step generators that match their teacher in distribution, i.e., the distillation process does not enforce a one-to-one correspondence with the sampling trajectories of their teachers.However, to ensure stable training in practice, DMD requires an additional regression loss computed using a large set of noise--image pairs, generated by the teacher with many steps of a deterministic sampler.This is not only computationally expensive for large-scale text-to-image synthesis, but it also limits the student's quality, tying it too closely to the teacher's original sampling paths.We introduce DMD2, a set of techniques that lift this limitation and improve DMD training.First, we eliminate the regression loss and the need for expensive dataset construction.We show that the resulting instability is due to the fake critic not estimating the distribution of generated samples with sufficient accuracy and propose a two time-scale update rule as a remedy.Second, we integrate a GAN loss into the distillation procedure, discriminating between generated samples and real images.This lets us train the student model on real data, thus mitigating the imperfect real score estimation from the teacher model, and thereby enhancing quality.Third, we introduce a new training procedure that enables multi-step sampling in the student, andaddresses the training--inference input mismatch of previous work, by simulating inference-time generator samples during training. Taken together, our improvements set new benchmarks in one-step image generation, with FID scores of 1.28 on ImageNet-64 64 and 8.35 on zero-shot COCO 2014, surpassing the original teacher despite a 500X reduction in inference cost.Further, we show our approach can generate megapixel images by distilling SDXL, demonstrating exceptional visual quality among few-step methods, and surpassing the teacher. We release our code and pretrained models.


CausalStock: Deep End-to-end Causal Discovery for News-driven Multi-stock Movement Prediction

Neural Information Processing Systems

There are two issues in news-driven multi-stock movement prediction tasks that are not well solved in the existing works. On the one hand, relation discovery is a pivotal part when leveraging the price information of other stocks to achieve accurate stock movement prediction. Given that stock relations are often unidirectional, such as the supplier-consumer relationship, causal relations are more appropriate to capture the impact between stocks. On the other hand, there is substantial noise existing in the news data leading to extracting effective information with difficulty. With these two issues in mind, we propose a novel framework called CausalStock for news-driven multi-stock movement prediction, which discovers the temporal causal relations between stocks.


Remove that Square Root: A New Efficient Scale-Invariant Version of AdaGrad

Neural Information Processing Systems

Adaptive methods are extremely popular in machine learning as they make learning rate tuning less expensive. This paper introduces a novel optimization algorithm named KATE, which presents a scale-invariant adaptation of the well-known AdaGrad algorithm. We prove the scale-invariance of KATE for the case of Generalized Linear Models. Moreover, for general smooth non-convex problems, we establish a convergence rate of $O((\log T)/\sqrt{T})$ for KATE, matching the best-known ones for AdaGrad and Adam. We also compare KATE to other state-of-the-art adaptive algorithms Adam and AdaGrad in numerical experiments with different problems, including complex machine learning tasks like image classification and text classification on real data. The results indicate that KATE consistently outperforms AdaGrad and matches/surpasses the performance of Adam in all considered scenarios.


Referencing Where to Focus: Improving Visual Grounding with Referential Query

Neural Information Processing Systems

Visual Grounding aims to localize the referring object in an image given a natural language expression. Recent advancements in DETR-based visual grounding methods have attracted considerable attention, as they directly predict the coordinates of the target object without relying on additional efforts, such as pre-generated proposal candidates or pre-defined anchor boxes. However, existing research primarily focuses on designing stronger multi-modal decoder, which typically generates learnable queries by random initialization or by using linguistic embeddings. This vanilla query generation approach inevitably increases the learning difficulty for the model, as it does not involve any target-related information at the beginning of decoding. Furthermore, they only use the deepest image feature during the query learning process, overlooking the importance of features from other levels.