Daily Papers

Visual Geometry Grounded Transformer (VGGT) has advanced 3D vision, yet its global attention layers suffer from quadratic computational costs that hinder scalability. Several sparsification-based acceleration techniques have been proposed to alleviate this issue, but they often suffer from substantial accuracy degradation. We hypothesize that the accuracy degradation stems from the heterogeneity in head-wise sparsification sensitivity, as the existing methods apply a uniform sparsity pattern across all heads. Motivated by this hypothesis, we present a two-stage sparsification pipeline that effectively quantifies and exploits headwise sparsification sensitivity. In the first stage, we measure head-wise sparsification sensitivity using a novel metric, the Head Sensitivity Score (HeSS), which approximates the Hessian with respect to two distinct error terms on a small calibration set. In the inference stage, we perform HeSS-Guided Sparsification, leveraging the pre-computed HeSS to reallocate the total attention budget-assigning denser attention to sensitive heads and sparser attention to more robust ones. We demonstrate that HeSS effectively captures head-wise sparsification sensitivity and empirically confirm that attention heads in the global attention layers exhibit heterogeneous sensitivity characteristics. Extensive experiments further show that our method effectively mitigates performance degradation under high sparsity, demonstrating strong robustness across varying sparsification levels. Code is available at https://github.com/libary753/HeSS.

Given a semisimple complex linear algebraic group G and a lower ideal I in positive roots of G, three objects arise: the ideal arrangement A_I, the regular nilpotent Hessenberg variety Hess(N,I), and the regular semisimple Hessenberg variety Hess(S,I). We show that a certain graded ring derived from the logarithmic derivation module of A_I is isomorphic to H^*(Hess(N,I)) and H^*(Hess(S,I))^W, the invariants in H^*(Hess(S,I)) under an action of the Weyl group W of G. This isomorphism is shown for general Lie type, and generalizes Borel's celebrated theorem showing that the coinvariant algebra of W is isomorphic to the cohomology ring of the flag variety G/B. This surprising connection between Hessenberg varieties and hyperplane arrangements enables us to produce a number of interesting consequences. For instance, the surjectivity of the restriction map H^*(G/B)to H^*(Hess(N,I)) announced by Dale Peterson and an affirmative answer to a conjecture of Sommers-Tymoczko are immediate consequences. We also give an explicit ring presentation of H^*(Hess(N,I)) in types B, C, and G. Such a presentation was already known in type A or when Hess(N,I) is the Peterson variety. Moreover, we find the volume polynomial of Hess(N,I) and see that the hard Lefschetz property and the Hodge-Riemann relations hold for Hess(N,I), despite the fact that it is a singular variety in general.

Pruning is an effective method to reduce the memory footprint and FLOPs associated with neural network models. However, existing structured-pruning methods often result in significant accuracy degradation for moderate pruning levels. To address this problem, we introduce a new Hessian Aware Pruning (HAP) method coupled with a Neural Implant approach that uses second-order sensitivity as a metric for structured pruning. The basic idea is to prune insensitive components and to use a Neural Implant for moderately sensitive components, instead of completely pruning them. For the latter approach, the moderately sensitive components are replaced with with a low rank implant that is smaller and less computationally expensive than the original component. We use the relative Hessian trace to measure sensitivity, as opposed to the magnitude based sensitivity metric commonly used in the literature. We test HAP for both computer vision tasks and natural language tasks, and we achieve new state-of-the-art results. Specifically, HAP achieves less than 0.1%/0.5% degradation on PreResNet29/ResNet50 (CIFAR-10/ImageNet) with more than 70\%/50\% of parameters pruned. Meanwhile, HAP also achieves significantly better performance (up to 0.8\% with 60\% of parameters pruned) as compared to gradient based method for head pruning on transformer-based models. The framework has been open sourced and available online.

Structured pruning is one of the most popular approaches to effectively compress the heavy deep neural networks (DNNs) into compact sub-networks while retaining performance. The existing methods suffer from multi-stage procedures along with significant engineering efforts and human expertise. The Only-Train-Once (OTO) series has been recently proposed to resolve the many pain points by streamlining the workflow by automatically conducting (i) search space generation, (ii) structured sparse optimization, and (iii) sub-network construction. However, the built-in sparse optimizers in the OTO series, i.e., the Half-Space Projected Gradient (HSPG) family, have limitations that require hyper-parameter tuning and the implicit controls of the sparsity exploration, consequently requires intervening by human expertise. To address such limitations, we propose a Hybrid Efficient Structured Sparse Optimizer (HESSO). HESSO could automatically and efficiently train a DNN to produce a high-performing subnetwork. Meanwhile, it is almost tuning-free and enjoys user-friendly integration for generic training applications. To address another common issue of irreversible performance collapse observed in pruning DNNs, we further propose a Corrective Redundant Identification Cycle (CRIC) for reliably identifying indispensable structures. We numerically demonstrate the efficacy of HESSO and its enhanced version HESSO-CRIC on a variety of applications ranging from computer vision to natural language processing, including large language model. The numerical results showcase that HESSO can achieve competitive even superior performance to varying state-of-the-arts and support most DNN architectures. Meanwhile, CRIC can effectively prevent the irreversible performance collapse and further enhance the performance of HESSO on certain applications. The code is available at https://github.com/microsoft/only_train_once.

While Convolutional Neural Networks (CNNs) have long been investigated and applied, as well as theorized, we aim to provide a slightly different perspective into their nature -- through the perspective of their Hessian maps. The reason is that the loss Hessian captures the pairwise interaction of parameters and therefore forms a natural ground to probe how the architectural aspects of CNN get manifested in its structure and properties. We develop a framework relying on Toeplitz representation of CNNs, and then utilize it to reveal the Hessian structure and, in particular, its rank. We prove tight upper bounds (with linear activations), which closely follow the empirical trend of the Hessian rank and hold in practice in more general settings. Overall, our work generalizes and establishes the key insight that, even in CNNs, the Hessian rank grows as the square root of the number of parameters.

Efficiently serving neural network models with low latency is becoming more challenging due to increasing model complexity and parameter count. Model quantization offers a solution which simultaneously reduces memory footprint and compute requirements. However, aggressive quantization may lead to an unacceptable loss in model accuracy owing to differences in sensitivity to numerical imperfection across different layers in the model. To address this challenge, we propose a mixed-precision post training quantization (PTQ) approach that assigns different numerical precisions to tensors in a network based on their specific needs, for a reduced memory footprint and improved latency while preserving model accuracy. Previous works rely on layer-wise Hessian information to determine numerical precision, but as we demonstrate, Hessian estimation is typically insufficient in determining an effective ordering of layer sensitivities. We address this by augmenting the estimated Hessian with additional information to capture inter-layer dependencies. We demonstrate that this consistently improves PTQ performance along the accuracy-latency Pareto frontier across multiple models. Our method combines second-order information and inter-layer dependencies to guide a bisection search, finding quantization configurations within a user-configurable model accuracy degradation range. We evaluate the effectiveness of our method on the ResNet50, MobileNetV2, and BERT models. Our experiments demonstrate latency reductions compared to a 16-bit baseline of 25.48%, 21.69%, and 33.28% respectively, while maintaining model accuracy to within 99.99% of the baseline model.

Out-of-distribution (OOD) generalization is a critical ability for deep learning models in many real-world scenarios including healthcare and autonomous vehicles. Recently, different techniques have been proposed to improve OOD generalization. Among these methods, gradient-based regularizers have shown promising performance compared with other competitors. Despite this success, our understanding of the role of Hessian and gradient alignment in domain generalization is still limited. To address this shortcoming, we analyze the role of the classifier's head Hessian matrix and gradient in domain generalization using recent OOD theory of transferability. Theoretically, we show that spectral norm between the classifier's head Hessian matrices across domains is an upper bound of the transfer measure, a notion of distance between target and source domains. Furthermore, we analyze all the attributes that get aligned when we encourage similarity between Hessians and gradients. Our analysis explains the success of many regularizers like CORAL, IRM, V-REx, Fish, IGA, and Fishr as they regularize part of the classifier's head Hessian and/or gradient. Finally, we propose two simple yet effective methods to match the classifier's head Hessians and gradients in an efficient way, based on the Hessian Gradient Product (HGP) and Hutchinson's method (Hutchinson), and without directly calculating Hessians. We validate the OOD generalization ability of proposed methods in different scenarios, including transferability, severe correlation shift, label shift and diversity shift. Our results show that Hessian alignment methods achieve promising performance on various OOD benchmarks. The code is available at https://github.com/huawei-noah/Federated-Learning/tree/main/HessianAlignment.

Model size and inference speed/power have become a major challenge in the deployment of Neural Networks for many applications. A promising approach to address these problems is quantization. However, uniformly quantizing a model to ultra low precision leads to significant accuracy degradation. A novel solution for this is to use mixed-precision quantization, as some parts of the network may allow lower precision as compared to other layers. However, there is no systematic way to determine the precision of different layers. A brute force approach is not feasible for deep networks, as the search space for mixed-precision is exponential in the number of layers. Another challenge is a similar factorial complexity for determining block-wise fine-tuning order when quantizing the model to a target precision. Here, we introduce Hessian AWare Quantization (HAWQ), a novel second-order quantization method to address these problems. HAWQ allows for the automatic selection of the relative quantization precision of each layer, based on the layer's Hessian spectrum. Moreover, HAWQ provides a deterministic fine-tuning order for quantizing layers, based on second-order information. We show the results of our method on Cifar-10 using ResNet20, and on ImageNet using Inception-V3, ResNet50 and SqueezeNext models. Comparing HAWQ with state-of-the-art shows that we can achieve similar/better accuracy with 8times activation compression ratio on ResNet20, as compared to DNAS~wu2018mixed, and up to 1% higher accuracy with up to 14% smaller models on ResNet50 and Inception-V3, compared to recently proposed methods of RVQuant~park2018value and HAQ~wang2018haq. Furthermore, we show that we can quantize SqueezeNext to just 1MB model size while achieving above 68% top1 accuracy on ImageNet.

This paper studies the fitting of Hessian or its inverse with stochastic Hessian-vector products. A Hessian fitting criterion, which can be used to derive most of the commonly used methods, e.g., BFGS, Gaussian-Newton, AdaGrad, etc., is used for the analysis. Our studies reveal different convergence rates for different Hessian fitting methods, e.g., sublinear rates for gradient descent in the Euclidean space and a commonly used closed-form solution, linear rates for gradient descent on the manifold of symmetric positive definite (SPL) matrices and certain Lie groups. The Hessian fitting problem is further shown to be strongly convex under mild conditions on a specific yet general enough Lie group. To confirm our analysis, these methods are tested under different settings like noisy Hessian-vector products, time varying Hessians, and low precision arithmetic. These findings are useful for stochastic second order optimizations that rely on fast, robust and accurate Hessian estimations.

Mixture-of-Experts (MoE) architectures in large language models (LLMs) deliver exceptional performance and reduced inference costs compared to dense LLMs. However, their large parameter counts result in prohibitive memory requirements, limiting practical deployment. While existing pruning methods primarily focus on expert-level pruning, this coarse granularity often leads to substantial accuracy degradation. In this work, we introduce HEAPr, a novel pruning algorithm that decomposes experts into smaller, indivisible atomic experts, enabling more precise and flexible atomic expert pruning. To measure the importance of each atomic expert, we leverage second-order information based on principles similar to Optimal Brain Surgeon (OBS) theory. To address the computational and storage challenges posed by second-order information, HEAPr exploits the inherent properties of atomic experts to transform the second-order information from expert parameters into that of atomic expert parameters, and further simplifies it to the second-order information of atomic expert outputs. This approach reduces the space complexity from O(d^4), where d is the model's dimensionality, to O(d^2). HEAPr requires only two forward passes and one backward pass on a small calibration set to compute the importance of atomic experts. Extensive experiments on MoE models, including DeepSeek MoE and Qwen MoE family, demonstrate that HEAPr outperforms existing expert-level pruning methods across a wide range of compression ratios and benchmarks. Specifically, HEAPr achieves nearly lossless compression at compression ratios of 20% ~ 25% in most models, while also reducing FLOPs nearly by 20%. The code can be found at https://github.com/LLIKKE/HEAPr{https://github.com/LLIKKE/HEAPr}.

We describe an exact algorithm to solve linear systems of the form Hx=b where H is the Hessian of a deep net. The method computes Hessian-inverse-vector products without storing the Hessian or its inverse. It requires time and storage that scale linearly in the number of layers. This is in contrast to the naive approach of first computing the Hessian, then solving the linear system, which takes storage and time that are respectively quadratic and cubic in the number of layers. The Hessian-inverse-vector product method scales roughly like Pearlmutter's algorithm for computing Hessian-vector products.

Wasserstein gradient flow extends gradient descent to probability measures. Its Hessian-guided perturbed variant (PWGF) adds Gaussian perturbations to escape saddle points in nonconvex problems. We investigate when its approximation by finitely many interacting particles remains accurate over growing time horizons. Our analysis retains the curvature accumulated along the population-driven reference path: negative curvature can amplify approximation errors, while subsequent positive curvature can damp their influence. This captures favorable scenarios in which temporary instability is compatible with accurate tracking over growing horizons. Under regularity assumptions and a prescribed common perturbation schedule, we prove particle and objective-value tracking bounds on a high-probability event for reference paths satisfying explicit conditions on accumulated curvature. To handle state-dependent Gaussian jumps, we construct a population-first coupling that preserves the reference particles' conditional independence and reduces jump errors to covariance comparison. We verify the conditions in a variance-plus-cosine model, where curvature recovery yields a growing-horizon tracking guarantee. We also establish local attraction, transverse descent, and positive second variation in two regions of a regularized matrix-factorization model, motivating a positive-negative-positive curvature pattern.

A regular semisimple Hessenberg variety Hess(S,h) is a smooth subvariety of the flag variety determined by a square matrix S with distinct eigenvalues and a Hessenberg function h. The cohomology ring H^*(Hess(S,h)) is independent of the choice of S and is not explicitly described except for a few cases. In this paper, we characterize the Hessenberg function h such that H^*(Hess(S,h)) is generated in degree two as a ring. It turns out that such h is what is called a (double) lollipop.

We develop an end-to-end workflow for the training and implementation of co-designed neural networks (NNs) for efficient field-programmable gate array (FPGA) and application-specific integrated circuit (ASIC) hardware. Our approach leverages Hessian-aware quantization (HAWQ) of NNs, the Quantized Open Neural Network Exchange (QONNX) intermediate representation, and the hls4ml tool flow for transpiling NNs into FPGA and ASIC firmware. This makes efficient NN implementations in hardware accessible to nonexperts, in a single open-sourced workflow that can be deployed for real-time machine learning applications in a wide range of scientific and industrial settings. We demonstrate the workflow in a particle physics application involving trigger decisions that must operate at the 40 MHz collision rate of the CERN Large Hadron Collider (LHC). Given the high collision rate, all data processing must be implemented on custom ASIC and FPGA hardware within a strict area and latency. Based on these constraints, we implement an optimized mixed-precision NN classifier for high-momentum particle jets in simulated LHC proton-proton collisions.

Quantization is an effective method for reducing memory footprint and inference time of Neural Networks, e.g., for efficient inference in the cloud, especially at the edge. However, ultra low precision quantization could lead to significant degradation in model generalization. A promising method to address this is to perform mixed-precision quantization, where more sensitive layers are kept at higher precision. However, the search space for a mixed-precision quantization is exponential in the number of layers. Recent work has proposed HAWQ, a novel Hessian based framework, with the aim of reducing this exponential search space by using second-order information. While promising, this prior work has three major limitations: (i) HAWQV1 only uses the top Hessian eigenvalue as a measure of sensitivity and do not consider the rest of the Hessian spectrum; (ii) HAWQV1 approach only provides relative sensitivity of different layers and therefore requires a manual selection of the mixed-precision setting; and (iii) HAWQV1 does not consider mixed-precision activation quantization. Here, we present HAWQV2 which addresses these shortcomings. For (i), we perform a theoretical analysis showing that a better sensitivity metric is to compute the average of all of the Hessian eigenvalues. For (ii), we develop a Pareto frontier based method for selecting the exact bit precision of different layers without any manual selection. For (iii), we extend the Hessian analysis to mixed-precision activation quantization. We have found this to be very beneficial for object detection. We show that HAWQV2 achieves new state-of-the-art results for a wide range of tasks.

Transformer based architectures have become de-facto models used for a range of Natural Language Processing tasks. In particular, the BERT based models achieved significant accuracy gain for GLUE tasks, CoNLL-03 and SQuAD. However, BERT based models have a prohibitive memory footprint and latency. As a result, deploying BERT based models in resource constrained environments has become a challenging task. In this work, we perform an extensive analysis of fine-tuned BERT models using second order Hessian information, and we use our results to propose a novel method for quantizing BERT models to ultra low precision. In particular, we propose a new group-wise quantization scheme, and we use a Hessian based mix-precision method to compress the model further. We extensively test our proposed method on BERT downstream tasks of SST-2, MNLI, CoNLL-03, and SQuAD. We can achieve comparable performance to baseline with at most 2.3% performance degradation, even with ultra-low precision quantization down to 2 bits, corresponding up to 13times compression of the model parameters, and up to 4times compression of the embedding table as well as activations. Among all tasks, we observed the highest performance loss for BERT fine-tuned on SQuAD. By probing into the Hessian based analysis as well as visualization, we show that this is related to the fact that current training/fine-tuning strategy of BERT does not converge for SQuAD.

We develop regularity theory for critical points of variational integrals defined on Hessian spaces of functions on open, bounded subdomains of R^n, under compactly supported variations. The critical point solves a fourth order nonlinear equation in double divergence form. We show that for smooth convex functionals, a W^{2,infty} critical point with bounded Hessian is smooth provided that its Hessian has a small bounded mean oscillation (BMO). We deduce that the interior singular set of a critical point has Hausdorff dimension at most n-p_0, for some p_0 in (2,3). We state some applications of our results to variational problems in Lagrangian geometry. Finally, we use the Hamiltonian stationary equation to demonstrate the importance of our assumption on the a priori regularity of the critical point.

The loss landscape of neural networks is a critical aspect of their training, and understanding its properties is essential for improving their performance. In this paper, we investigate how the loss surface changes when the sample size increases, a previously unexplored issue. We theoretically analyze the convergence of the loss landscape in a fully connected neural network and derive upper bounds for the difference in loss function values when adding a new object to the sample. Our empirical study confirms these results on various datasets, demonstrating the convergence of the loss function surface for image classification tasks. Our findings provide insights into the local geometry of neural loss landscapes and have implications for the development of sample size determination techniques.

We look at the eigenvalues of the Hessian of a loss function before and after training. The eigenvalue distribution is seen to be composed of two parts, the bulk which is concentrated around zero, and the edges which are scattered away from zero. We present empirical evidence for the bulk indicating how over-parametrized the system is, and for the edges that depend on the input data.

We study the properties of common loss surfaces through their Hessian matrix. In particular, in the context of deep learning, we empirically show that the spectrum of the Hessian is composed of two parts: (1) the bulk centered near zero, (2) and outliers away from the bulk. We present numerical evidence and mathematical justifications to the following conjectures laid out by Sagun et al. (2016): Fixing data, increasing the number of parameters merely scales the bulk of the spectrum; fixing the dimension and changing the data (for instance adding more clusters or making the data less separable) only affects the outliers. We believe that our observations have striking implications for non-convex optimization in high dimensions. First, the flatness of such landscapes (which can be measured by the singularity of the Hessian) implies that classical notions of basins of attraction may be quite misleading. And that the discussion of wide/narrow basins may be in need of a new perspective around over-parametrization and redundancy that are able to create large connected components at the bottom of the landscape. Second, the dependence of small number of large eigenvalues to the data distribution can be linked to the spectrum of the covariance matrix of gradients of model outputs. With this in mind, we may reevaluate the connections within the data-architecture-algorithm framework of a model, hoping that it would shed light into the geometry of high-dimensional and non-convex spaces in modern applications. In particular, we present a case that links the two observations: small and large batch gradient descent appear to converge to different basins of attraction but we show that they are in fact connected through their flat region and so belong to the same basin.

Fundamental tasks in computational chemistry, from transition state search to vibrational analysis, rely on molecular Hessians, which are the second derivatives of the potential energy. Yet, Hessians are computationally expensive to calculate and scale poorly with system size, with both quantum mechanical methods and neural networks. In this work, we demonstrate that Hessians can be predicted directly from a deep learning model, without relying on automatic differentiation or finite differences. We observe that one can construct SE(3)-equivariant, symmetric Hessians from irreducible representations (irrep) features up to degree l=2 computed during message passing in graph neural networks. This makes HIP Hessians one to two orders of magnitude faster, more accurate, more memory efficient, easier to train, and enables more favorable scaling with system size. We validate our predictions across a wide range of downstream tasks, demonstrating consistently superior performance for transition state search, accelerated geometry optimization, zero-point energy corrections, and vibrational analysis benchmarks. We open-source the HIP codebase and model weights to enable further development of the direct prediction of Hessians at https://github.com/BurgerAndreas/hip

This paper studies generalization capabilities of neural networks (NNs) using new and improved PyTorch library Loss Landscape Analysis (LLA). LLA facilitates visualization and analysis of loss landscapes along with the properties of NN Hessian. Different approaches to NN loss landscape plotting are discussed with particular focus on normalization techniques showing that conventional methods cannot always ensure correct visualization when batch normalization layers are present in NN architecture. The use of Hessian axes is shown to be able to mitigate this effect, and methods for choosing Hessian axes are proposed. In addition, spectra of Hessian eigendecomposition are studied and it is shown that typical spectra exist for a wide range of NNs. This allows to propose quantitative criteria for Hessian analysis that can be applied to evaluate NN performance and assess its generalization capabilities. Generalization experiments are conducted using ImageNet-1K pre-trained models along with several models trained as part of this study. The experiment include training models on one dataset and testing on another one to maximize experiment similarity to model performance in the Wild. It is shown that when datasets change, the changes in criteria correlate with the changes in accuracy, making the proposed criteria a computationally efficient estimate of generalization ability, which is especially useful for extremely large datasets.

Zeroth-order optimization addresses problems where gradient information is inaccessible or impractical to compute. While most existing methods rely on first-order approximations, incorporating second-order (curvature) information can, in principle, significantly accelerate convergence. However, the high cost of function evaluations required to estimate Hessian matrices often limits practical applicability. We present the subspace-based approximate Hessian (ZO-SAH) method, a zeroth-order optimization algorithm that mitigates these costs by focusing on randomly selected two-dimensional subspaces. Within each subspace, ZO-SAH estimates the Hessian by fitting a quadratic polynomial to the objective function and extracting its second-order coefficients. To further reduce function-query costs, ZO-SAH employs a periodic subspace-switching strategy that reuses function evaluations across optimization steps. Experiments on eight benchmark datasets, including logistic regression and deep neural network training tasks, demonstrate that ZO-SAH achieves significantly faster convergence than existing zeroth-order methods.

As large language models (LLMs) continue to scale, deployment is increasingly bottlenecked by the memory wall, motivating a shift toward extremely low-bit quantization. However, most quantization-aware training (QAT) methods apply hard rounding and the straight-through estimator (STE) from the beginning of the training, which prematurely discretizes the optimization landscape and induces persistent gradient mismatch between latent weights and quantized weights, hindering effective optimization of quantized models. To address this, we propose Hestia, a Hessian-guided differentiable QAT framework for extremely low-bit LLMs, which replaces the rigid step function with a temperature-controlled softmax relaxation to maintain gradient flow early in training while progressively hardening quantization. Furthermore, Hestia leverages a tensor-wise Hessian trace metric as a lightweight curvature signal to drive fine-grained temperature annealing, enabling sensitivity-aware discretization across the model. Evaluations on Llama-3.2 show that Hestia consistently outperforms existing ternary QAT baselines, yielding average zero-shot improvements of 5.39% and 4.34% for the 1B and 3B models. These results indicate that Hessian-guided relaxation effectively recovers representational capacity, establishing a more robust training path for 1.58-bit LLMs. The code is available at https://github.com/hestia2026/Hestia.

We present THEMol (Torsion, Hessian, Energy of Molecules), a massive open-source collection of quantum mechanical properties tailored for closed-shell organic molecules, with up to 50 heavy atoms. THEMol includes a Hessian subset with more than 3 million relaxed geometries with Hessian matrices, a TorsionScan subset with nearly 100 million constrained relaxed geometries with energies and forces, and relaxation-trajectory subsets (HessianRelax and TorsionScanRelax) that together comprise about 3 billion DFT calculations. The chemical space sampling is comprehensive, spanning twelve essential elements and diverse molecular architectures relevant to drug discovery, electrolytes, ionic liquids, and beyond. The dataset also features exhaustive conformational sampling through the TorsionScan and TorsionScanRelax subsets, including comprehensive in-ring and non-ring torsional scans. Furthermore, it contains an extensive library of Hessian matrices, computed at relaxed geometries, to capture critical second-derivative information of the potential energy landscape. Additionally, we supply electron density-derived atomic multipoles computed via the Minimal Basis Iterative Stockholder partition scheme. Organized into five distinct subsets (Hessian, TorsionScan, HessianRelax, TorsionScanRelax, and MBIS), the data encompasses optimized geometries, relaxation trajectories, and derived molecular properties. We anticipate that this massive and diverse dataset will significantly empower the development of highly accurate and transferable molecular potentials.

Post-training quantization (PTQ) is a widely adopted technique for compressing large language models (LLMs) without retraining. Existing second-order PTQ methods, including GPTQ, construct quantization objectives exclusively from input activation statistics, effectively assuming that all output channels contribute equally to the layer-wise reconstruction objective. We propose KronQ, a PTQ framework that challenges this assumption by introducing the gradient covariance into the quantization pipeline. Under the Kronecker-factored Hessian approximation, the quantization loss depends jointly on both the activation and gradient covariances, and KronQ exploits this at two complementary levels. (1) KronQ introduces bidirectional incoherence processing, extending the existing input-side random rotation to the output dimension using the gradient covariance, reducing weight magnitude variance across both input and output dimensions. (2) KronQ derives a new sensitivity metric for inter-layer mixed-precision allocation, driven by the gradient and activation Hessian traces. Notably, in the case of 2-bit weight-only quantization on LLaMA-3-70B, while GPTQ and GPTAQ diverge or produce degenerate quantizations (>2000 perplexity on WikiText-2), KronQ achieves 7.93 perplexity.

The lack of theoretical results for Layer Normalization and feedforward Hessians has left a gap in the study of Transformer optimization landscapes. We address this by deriving explicit second-order expressions for these components, thereby completing the Hessian characterization of full Transformer blocks. Our results generalize prior self-attention analyses and yield estimations for the role of each sublayer in curvature propagation. We demonstrate how these Hessian structures inform both convergence dynamics and the empirical scaling laws governing large-model performance. Further, we propose a Taylor-expansion-based framework for analyzing loss differences to quantify convergence trajectories. By extending Hessian theory to the full Transformer architecture, this work establishes a new foundation for theoretical and empirical investigations of optimization in large-scale deep learning.

Accurate Zeroth-Order (ZO) Hessian estimation is a cornerstone of derivative-free methods, essential for tasks such as bilevel optimization, Bayesian inference, and uncertainty quantification. However, obtaining a complete suite of low-variance estimators for the Hessian and its inverse in high-dimensional settings remains a significant challenge. To address this, we propose a unified framework that reinterprets ZO Hessian approximation through the lens of single-step Policy Optimization (PO). This perspective establishes a theoretical equivalence between general ZO Hessian estimators and the Hessian of a smoothed PO objective, unifying distinct classical randomized estimators as specific instances of baseline selection. Building on this foundation, we introduce ZoVH, a comprehensive suite of variance-reduced estimators for the full Hessian matrix, its regularized inverse, and the bias-corrected inverse Hessian-gradient product. ZoVH leverages two key techniques: (1) a unique optimal baseline derived to provably minimize variance, and (2) a query reuse strategy that incorporates historical function queries to enhance sample efficiency without inflating costs. Our rigorous theoretical analysis confirms the unbiasedness of the Hessian estimator, validates the variance optimality of our baseline, provides error bounds for the entire ZoVH suite, and establishes convergence guarantees for the resulting curvature-aware ZO algorithm. Extensive empirical results validate our theoretical findings, demonstrating that ZoVH achieves superior estimation accuracy and convergence performance in real-world applications. Code is available at https://github.com/Qjbtiger/ZoVH

The NVIDIA Blackwell architecture, with native support for the ultra-fine-grained NVFP4 format, opens new opportunities for accelerating large language model (LLM) inference. NVFP4's micro-block design, such as a group size of 16, offers strong representational flexibility for capturing local weight distributions and isolating outliers, but it also introduces a large and highly sensitive space of per-group scaling factors. Existing post-training quantization (PTQ) methods primarily focus on refining quantized weight values, leaving this scale-selection step underexplored. To address this gap, we propose H-Scale, a lightweight post-processing method for NVFP4 per-group scale refinement. Instead of minimizing plain weight reconstruction error, H-Scale selects hardware-valid group scales using a diagonal second-order proxy derived from calibration activations, thereby targeting layer output perturbation more directly. It is designed as a drop-in replacement for RTN-style scale selection in diverse NVFP4 pipelines, requires only modest offline calibration, and introduces strictly zero overhead at inference time. Under a fixed evaluation protocol, experiments on mainstream LLMs show that H-Scale generally improves a broad range of NVFP4 baselines and brings several variants closer to the BF16 reference.

We study two-step recurrences with positive step sizes and nonnegative momentum coefficients whose terminal residual is the Chebyshev minimax polynomial on a prescribed spectral interval [μ,L]. These recurrences have the same terminal error on a fixed quadratic, but their first-order responses to stepwise Hessian perturbations can differ. We prove that the sine-Jacobi recurrence of Part I is asymptotically optimal for this response norm within a factor of 1.000004, uniformly over 0<μ<L. Every terminal-exact recurrence satisfies A_Nge(2c_{cert}-o(1))N^{3/2}ε_N^star/(L-μ) with c_{cert}>1.14268353624, whereas the sine-Jacobi recurrence attains the constant 2c_{sin} with c_{sin}<1.14269218. The proof reduces the gain to the diagonal energy of a Jacobi Green matrix. A centering lift represents this matrix by an exponential kernel; packing its diagonal into a density on the line preserves the energy and controls the change in the Birman-Schwinger spectrum. A calibrated identity gives a lower bound using the ground parameter and one Fredholm determinant. Two further determinants and a trace observation improve the bound through a pointwise inequality on an explicit compact state region. One rational certificate verifies this inequality by interval arithmetic. A second certificate constructs a density satisfying the selected observations and both normalizations with energy below the sine value. Finally, no C^1 function of finitely many observations of the specified kinds gives a locally sharp lower bound at the sine density.

We analyze Newton's method with lazy Hessian updates for solving general possibly non-convex optimization problems. We propose to reuse a previously seen Hessian for several iterations while computing new gradients at each step of the method. This significantly reduces the overall arithmetical complexity of second-order optimization schemes. By using the cubic regularization technique, we establish fast global convergence of our method to a second-order stationary point, while the Hessian does not need to be updated each iteration. For convex problems, we justify global and local superlinear rates for lazy Newton steps with quadratic regularization, which is easier to compute. The optimal frequency for updating the Hessian is once every d iterations, where d is the dimension of the problem. This provably improves the total arithmetical complexity of second-order algorithms by a factor d.

Transformers yield state-of-the-art results across many tasks. However, their heuristically designed architecture impose huge computational costs during inference. This work aims on challenging the common design philosophy of the Vision Transformer (ViT) model with uniform dimension across all the stacked blocks in a model stage, where we redistribute the parameters both across transformer blocks and between different structures within the block via the first systematic attempt on global structural pruning. Dealing with diverse ViT structural components, we derive a novel Hessian-based structural pruning criteria comparable across all layers and structures, with latency-aware regularization for direct latency reduction. Performing iterative pruning on the DeiT-Base model leads to a new architecture family called NViT (Novel ViT), with a novel parameter redistribution that utilizes parameters more efficiently. On ImageNet-1K, NViT-Base achieves a 2.6x FLOPs reduction, 5.1x parameter reduction, and 1.9x run-time speedup over the DeiT-Base model in a near lossless manner. Smaller NViT variants achieve more than 1% accuracy gain at the same throughput of the DeiT Small/Tiny variants, as well as a lossless 3.3x parameter reduction over the SWIN-Small model. These results outperform prior art by a large margin. Further analysis is provided on the parameter redistribution insight of NViT, where we show the high prunability of ViT models, distinct sensitivity within ViT block, and unique parameter distribution trend across stacked ViT blocks. Our insights provide viability for a simple yet effective parameter redistribution rule towards more efficient ViTs for off-the-shelf performance boost.

Recent legislation has led to interest in machine unlearning, i.e., removing specific training samples from a predictive model as if they never existed in the training dataset. Unlearning may also be required due to corrupted/adversarial data or simply a user's updated privacy requirement. For models which require no training (k-NN), simply deleting the closest original sample can be effective. But this idea is inapplicable to models which learn richer representations. Recent ideas leveraging optimization-based updates scale poorly with the model dimension d, due to inverting the Hessian of the loss function. We use a variant of a new conditional independence coefficient, L-CODEC, to identify a subset of the model parameters with the most semantic overlap on an individual sample level. Our approach completely avoids the need to invert a (possibly) huge matrix. By utilizing a Markov blanket selection, we premise that L-CODEC is also suitable for deep unlearning, as well as other applications in vision. Compared to alternatives, L-CODEC makes approximate unlearning possible in settings that would otherwise be infeasible, including vision models used for face recognition, person re-identification and NLP models that may require unlearning samples identified for exclusion. Code can be found at https://github.com/vsingh-group/LCODEC-deep-unlearning/

SGD performs worse than Adam by a significant margin on Transformers, but the reason remains unclear. In this work, we provide an explanation of SGD's failure on Transformers through the lens of Hessian: (i) Transformers are ``heterogeneous'': the Hessian spectrum across parameter blocks vary dramatically, a phenomenon we call ``block heterogeneity"; (ii) Heterogeneity hampers SGD: SGD performs badly on problems with block heterogeneity. To validate that heterogeneity hampers SGD, we check various Transformers, CNNs, MLPs, and quadratic problems, and find that SGD works well on problems without block heterogeneity but performs badly when the heterogeneity exists. Our initial theoretical analysis indicates that SGD fails because it applies one single learning rate for all blocks, which cannot handle the heterogeneity among blocks. The failure could be rescued if we could assign different learning rates across blocks, as designed in Adam.

In this work, we develop new optimization algorithms that use approximate second-order information combined with the gradient regularization technique to achieve fast global convergence rates for both convex and non-convex objectives. The key innovation of our analysis is a novel notion called Gradient-Normalized Smoothness, which characterizes the maximum radius of a ball around the current point that yields a good relative approximation of the gradient field. Our theory establishes a natural intrinsic connection between Hessian approximation and the linearization of the gradient. Importantly, Gradient-Normalized Smoothness does not depend on the specific problem class of the objective functions, while effectively translating local information about the gradient field and Hessian approximation into the global behavior of the method. This new concept equips approximate second-order algorithms with universal global convergence guarantees, recovering state-of-the-art rates for functions with H\"older-continuous Hessians and third derivatives, quasi-self-concordant functions, as well as smooth classes in first-order optimization. These rates are achieved automatically and extend to broader classes, such as generalized self-concordant functions. We demonstrate direct applications of our results for global linear rates in logistic regression and softmax problems with approximate Hessians, as well as in non-convex optimization using Fisher and Gauss-Newton approximations.

We study the accuracy of Gauss-Newton curvature in ridge-regularized nonlinear least squares. Under local regularity and persistence of level-set curvature magnitude along an exact-fit section, we prove uniform coexistence of two curvature regimes. Global minimizers exist, and every global minimizer has relative Hessian error below (1+sqrt2)/8, while the same low-cost set contains a point with an indefinite Hessian and relative error at least 15/8. One positive ridge cap works for all independent center and label perturbations in fixed neighborhoods and every positive ridge weight up to the cap. These neighborhoods do not shrink as the ridge weight tends to zero. A pointwise certificate based on the current prediction level set controls the normal, mixed, and tangent parts of the Hessian correction. We prove a sharp relative-error bound over the stated pointwise class when the prediction map and ridge vary. Analytic examples describe the roles of output alignment, curvature orientation, and persistence. A separate structural result gives full Jacobian row rank throughout low-cost sets and exact interpolation near a rank-deficient reference.

Discovering the underlying physical behavior of complex systems is a crucial, but less well-understood topic in many engineering disciplines. This study proposes a finite-difference inspired convolutional neural network framework to learn hidden partial differential equations from given data and iteratively estimate future dynamical behavior. The methodology designs the filter sizes such that they mimic the finite difference between the neighboring points. By learning the governing equation, the network predicts the future evolution of the solution by using only a few trainable parameters. In this paper, we provide numerical results to compare the efficiency of the second-order Trust-Region Conjugate Gradient (TRCG) method with the first-order ADAM optimizer.

This paper presents a new approach and algorithm for solving a class of constrained Bi-Level Optimization (BLO) problems in which the lower-level problem involves constraints coupling both upper-level and lower-level variables. Such problems have recently gained significant attention due to their broad applicability in machine learning. However, conventional gradient-based methods unavoidably rely on computationally intensive calculations related to the Hessian matrix. To address this challenge, we begin by devising a smooth proximal Lagrangian value function to handle the constrained lower-level problem. Utilizing this construct, we introduce a single-level reformulation for constrained BLOs that transforms the original BLO problem into an equivalent optimization problem with smooth constraints. Enabled by this reformulation, we develop a Hessian-free gradient-based algorithm-termed proximal Lagrangian Value function-based Hessian-free Bi-level Algorithm (LV-HBA)-that is straightforward to implement in a single loop manner. Consequently, LV-HBA is especially well-suited for machine learning applications. Furthermore, we offer non-asymptotic convergence analysis for LV-HBA, eliminating the need for traditional strong convexity assumptions for the lower-level problem while also being capable of accommodating non-singleton scenarios. Empirical results substantiate the algorithm's superior practical performance.

State space models and Mamba-based models have been increasingly applied across various domains, achieving state-of-the-art performance. This technical report introduces the first attempt to train a transferable Mamba model utilizing contrastive language-image pretraining (CLIP). We have trained Mamba models of varying sizes and undertaken comprehensive evaluations of these models on 26 zero-shot classification datasets and 16 out-of-distribution (OOD) datasets. Our findings reveal that a Mamba model with 67 million parameters is on par with a 307 million-parameter Vision Transformer (ViT) model in zero-shot classification tasks, highlighting the parameter efficiency of Mamba models. In tests of OOD generalization, Mamba-based models exhibit exceptional performance in conditions of OOD image contrast or when subjected to high-pass filtering. However, a Hessian analysis indicates that Mamba models feature a sharper and more non-convex landscape compared to ViT-based models, making them more challenging to train. The source code is available at https://github.com/raytrun/mamba-clip.

Vision Transformers (ViTs) have become one of the most commonly used backbones for vision tasks. Despite their remarkable performance, they often suffer significant accuracy drops when quantized for practical deployment, particularly by post-training quantization (PTQ) under ultra-low bits. Recently, reconstruction-based PTQ methods have shown promising performance in quantizing Convolutional Neural Networks (CNNs). However, they fail when applied to ViTs, primarily due to the inaccurate estimation of output importance and the substantial accuracy degradation in quantizing post-GELU activations. To address these issues, we propose APHQ-ViT, a novel PTQ approach based on importance estimation with Average Perturbation Hessian (APH). Specifically, we first thoroughly analyze the current approximation approaches with Hessian loss, and propose an improved average perturbation Hessian loss. To deal with the quantization of the post-GELU activations, we design an MLP Reconstruction (MR) method by replacing the GELU function in MLP with ReLU and reconstructing it by the APH loss on a small unlabeled calibration set. Extensive experiments demonstrate that APHQ-ViT using linear quantizers outperforms existing PTQ methods by substantial margins in 3-bit and 4-bit across different vision tasks. The source code is available at https://github.com/GoatWu/APHQ-ViT.

This work focuses on addressing two major challenges in the context of large-scale nonconvex Bi-Level Optimization (BLO) problems, which are increasingly applied in machine learning due to their ability to model nested structures. These challenges involve ensuring computational efficiency and providing theoretical guarantees. While recent advances in scalable BLO algorithms have primarily relied on lower-level convexity simplification, our work specifically tackles large-scale BLO problems involving nonconvexity in both the upper and lower levels. We simultaneously address computational and theoretical challenges by introducing an innovative single-loop gradient-based algorithm, utilizing the Moreau envelope-based reformulation, and providing non-asymptotic convergence analysis for general nonconvex BLO problems. Notably, our algorithm relies solely on first-order gradient information, enhancing its practicality and efficiency, especially for large-scale BLO learning tasks. We validate our approach's effectiveness through experiments on various synthetic problems, two typical hyper-parameter learning tasks, and a real-world neural architecture search application, collectively demonstrating its superior performance.

Accurate determination of transition states is central to an understanding of reaction kinetics. Double-endpoint methods where both initial and final states are specified, such as the climbing image nudged elastic band (CI-NEB), identify the minimum energy path between the two and thereby the saddle point on the energy surface that is relevant for the given transition, thus providing an estimate of the transition state within the harmonic approximation of transition state theory. Such calculations can, however, incur high computational costs and may suffer stagnation on exceptionally flat or rough energy surfaces. Conversely, methods that only require specification of an initial set of atomic coordinates, such as the minimum mode following (MMF) method, offer efficiency but can converge on saddle points that are not relevant for transition of interest. Here, we present an adaptive hybrid algorithm that integrates the CI-NEB with the MMF method so as to get faster convergence to the relevant saddle point. The method is benchmarked for the Baker-Chan (BC) saddle point test set using the PET-MAD machine-learned potential as well as 59 transitions of a heptamer island on Pt(111) from the OptBench benchmark set. A Bayesian analysis of the performance shows a reduction in energy and force calculations of 57% [95% CrI: -64%, -50%] relative to CI-NEB for the BC set, while a 31% mean reduction is found for the transitions of the heptamer island. These results establish this hybrid method as a highly effective tool for high-throughput automated chemical discovery of atomic rearrangements.

Approximate second-order optimization methods often exhibit poorer generalization compared to first-order approaches. In this work, we look into this issue through the lens of the loss landscape and find that existing second-order methods tend to converge to sharper minima compared to SGD. In response, we propose Sassha, a novel second-order method designed to enhance generalization by explicitly reducing sharpness of the solution, while stabilizing the computation of approximate Hessians along the optimization trajectory. In fact, this sharpness minimization scheme is crafted also to accommodate lazy Hessian updates, so as to secure efficiency besides flatness. To validate its effectiveness, we conduct a wide range of standard deep learning experiments where Sassha demonstrates its outstanding generalization performance that is comparable to, and mostly better than, other methods. We provide a comprehensive set of analyses including convergence, robustness, stability, efficiency, and cost.

Block-based video codecs select coding parameters based on the input by optimizing a rate-distortion trade-off. The conventional distortion choice, the sum of squared errors (SSE), simplifies parameter selection: the SSE is the sum of block-wise SSEs, so rate-distortion optimization (RDO) can treat blocks independently. Alternatively, full-reference image quality assessment (FR-IQA) metrics such as MS-SSIM or LPIPS often align better with the human visual system than SSE, but they cannot be used in-loop: they do not decompose block-wise and typically require the fully decoded image as input. Building on existing results in metric quadratization, we approximate a broad class of FR-IQA metrics by an input-dependent quadratic distortion (IDQD), whose quadratic form matrix is derived from the Hessian of the metric evaluated at the source video. To make the distortion computable block-wise, we propose two approximations of the Hessian matrix: 1) keeping the block-diagonal, and 2) keeping only its diagonal. We propose estimators for both that require only matrix-vector products with the Hessian obtained by automatic differentiation. Across five metrics for Kodak and CLIC in VVC, IDQD-RDO achieves 14.2-36.7 % BD-rate savings under the target metric with no decoder changes and incurs 10-30 % encoding complexity overhead.

Zeroth-order (ZO) optimization enables dimension-free communication in federated learning (FL), making it attractive for fine-tuning of large language models (LLMs) due to significant communication savings. However, existing ZO-FL methods largely overlook curvature information, despite its well-established benefits for convergence acceleration. To address this, we propose HiSo, a Hessian-informed ZO federated optimization method that accelerates convergence by leveraging global diagonal Hessian approximations, while strictly preserving scalar-only communication without transmitting any second-order information. Theoretically, for non-convex functions, we show that HiSo can achieve an accelerated convergence rate that is independent of the Lipschitz constant L and model dimension d under some Hessian approximation assumptions, offering a plausible explanation for the observed phenomenon of ZO convergence being much faster than its worst-case O(d)-bound. Empirically, across diverse LLM fine-tuning benchmarks, HiSo delivers a 1sim5times speedup in communication rounds over existing state-of-the-art ZO-FL baselines. This superior convergence not only cuts communication costs but also provides strong empirical evidence that Hessian information acts as an effective accelerator in federated ZO optimization settings. Our source code is provided at https://github.com/ZidongLiu/DeComFL.

Textbook question answering (TQA) is a challenging task in artificial intelligence due to the complex nature of context and multimodal data. Although previous research has significantly improved the task, there are still some limitations including the models' weak reasoning and inability to capture contextual information in the lengthy context. The introduction of large language models (LLMs) has revolutionized the field of AI, however, directly applying LLMs often leads to inaccurate answers. This paper proposes a methodology that handle the out-of-domain scenario in TQA where concepts are spread across different lessons by incorporating the retrieval augmented generation (RAG) technique and utilize transfer learning to handle the long context and enhance reasoning abilities. Through supervised fine-tuning of the LLM model Llama-2 and the incorporation of RAG, our architecture outperforms the baseline, achieving a 4.12% accuracy improvement on validation set and 9.84% on test set for non-diagram multiple-choice questions.

Porting state of the art deep learning algorithms to resource constrained compute platforms (e.g. VR, AR, wearables) is extremely challenging. We propose a fast, compact, and accurate model for convolutional neural networks that enables efficient learning and inference. We introduce LCNN, a lookup-based convolutional neural network that encodes convolutions by few lookups to a dictionary that is trained to cover the space of weights in CNNs. Training LCNN involves jointly learning a dictionary and a small set of linear combinations. The size of the dictionary naturally traces a spectrum of trade-offs between efficiency and accuracy. Our experimental results on ImageNet challenge show that LCNN can offer 3.2x speedup while achieving 55.1% top-1 accuracy using AlexNet architecture. Our fastest LCNN offers 37.6x speed up over AlexNet while maintaining 44.3% top-1 accuracy. LCNN not only offers dramatic speed ups at inference, but it also enables efficient training. In this paper, we show the benefits of LCNN in few-shot learning and few-iteration learning, two crucial aspects of on-device training of deep learning models.

Multimodal large language models (MLLMs) have shown success in vision-language tasks, but their ability to reason over complex educational materials remains largely untested. This work presents the first evaluation of state-of-the-art MLLMs, including LLaVA-1.5 and LLaMA 3.2-Vision, on the textbook question answering (TQA) task using the CK12-QA dataset. We introduce a multimodal retrieval-augmented generation (RAG) pipeline to simulate real-world learning by providing relevant lesson paragraphs and diagrams as context. Our zero-shot experiments reveal a critical trade-off: while retrieved context improves LLaVA's performance on text-based questions, it significantly degrades the accuracy of the more powerful LLaMA 3.2-Vision on diagram-based tasks, dropping its validation accuracy from 74.07% to 25.93%. We term this statistically significant phenomenon "catastrophic context interference." Furthermore, fine-tuning highlights architectural differences: LLaMA 3.2-Vision's performance improves to 71.16% on the test set, demonstrating its capacity to learn multimodal integration, whereas LLaVA's performance declines, indicating challenges with generalization. Our results underscore the challenges MLLMs face in modality prioritization and context integration, providing a benchmark and pointing to key directions for developing more robust AI-driven educational tools.

Chaotic dynamical systems (DS) are ubiquitous in nature and society. Often we are interested in reconstructing such systems from observed time series for prediction or mechanistic insight, where by reconstruction we mean learning geometrical and invariant temporal properties of the system in question (like attractors). However, training reconstruction algorithms like recurrent neural networks (RNNs) on such systems by gradient-descent based techniques faces severe challenges. This is mainly due to exploding gradients caused by the exponential divergence of trajectories in chaotic systems. Moreover, for (scientific) interpretability we wish to have as low dimensional reconstructions as possible, preferably in a model which is mathematically tractable. Here we report that a surprisingly simple modification of teacher forcing leads to provably strictly all-time bounded gradients in training on chaotic systems, and, when paired with a simple architectural rearrangement of a tractable RNN design, piecewise-linear RNNs (PLRNNs), allows for faithful reconstruction in spaces of at most the dimensionality of the observed system. We show on several DS that with these amendments we can reconstruct DS better than current SOTA algorithms, in much lower dimensions. Performance differences were particularly compelling on real world data with which most other methods severely struggled. This work thus led to a simple yet powerful DS reconstruction algorithm which is highly interpretable at the same time.

Research connecting text and images has recently seen several breakthroughs, with models like CLIP, DALL-E 2, and Stable Diffusion. However, the connection between text and other visual modalities, such as lidar data, has received less attention, prohibited by the lack of text-lidar datasets. In this work, we propose LidarCLIP, a mapping from automotive point clouds to a pre-existing CLIP embedding space. Using image-lidar pairs, we supervise a point cloud encoder with the image CLIP embeddings, effectively relating text and lidar data with the image domain as an intermediary. We show the effectiveness of LidarCLIP by demonstrating that lidar-based retrieval is generally on par with image-based retrieval, but with complementary strengths and weaknesses. By combining image and lidar features, we improve upon both single-modality methods and enable a targeted search for challenging detection scenarios under adverse sensor conditions. We also explore zero-shot classification and show that LidarCLIP outperforms existing attempts to use CLIP for point clouds by a large margin. Finally, we leverage our compatibility with CLIP to explore a range of applications, such as point cloud captioning and lidar-to-image generation, without any additional training. Code and pre-trained models are available at https://github.com/atonderski/lidarclip.

Recent years have seen considerable progress in the continual training of deep neural networks, predominantly thanks to approaches that add replay or regularization terms to the loss function to approximate the joint loss over all tasks so far. However, we show that even with a perfect approximation to the joint loss, these approaches still suffer from temporary but substantial forgetting when starting to train on a new task. Motivated by this 'stability gap', we propose that continual learning strategies should focus not only on the optimization objective, but also on the way this objective is optimized. While there is some continual learning work that alters the optimization trajectory (e.g., using gradient projection techniques), this line of research is positioned as alternative to improving the optimization objective, while we argue it should be complementary. To evaluate the merits of our proposition, we plan to combine replay-approximated joint objectives with gradient projection-based optimization routines to test whether the addition of the latter provides benefits in terms of (1) alleviating the stability gap, (2) increasing the learning efficiency and (3) improving the final learning outcome.

Several families of continual learning techniques have been proposed to alleviate catastrophic interference in deep neural network training on non-stationary data. However, a comprehensive comparison and analysis of limitations remains largely open due to the inaccessibility to suitable datasets. Empirical examination not only varies immensely between individual works, it further currently relies on contrived composition of benchmarks through subdivision and concatenation of various prevalent static vision datasets. In this work, our goal is to bridge this gap by introducing a computer graphics simulation framework that repeatedly renders only upcoming urban scene fragments in an endless real-time procedural world generation process. At its core lies a modular parametric generative model with adaptable generative factors. The latter can be used to flexibly compose data streams, which significantly facilitates a detailed analysis and allows for effortless investigation of various continual learning schemes.

Treatment effect estimation in continuous time is crucial for personalized medicine. However, existing methods for this task are limited to point estimates of the potential outcomes, whereas uncertainty estimates have been ignored. Needless to say, uncertainty quantification is crucial for reliable decision-making in medical applications. To fill this gap, we propose a novel Bayesian neural controlled differential equation (BNCDE) for treatment effect estimation in continuous time. In our BNCDE, the time dimension is modeled through a coupled system of neural controlled differential equations and neural stochastic differential equations, where the neural stochastic differential equations allow for tractable variational Bayesian inference. Thereby, for an assigned sequence of treatments, our BNCDE provides meaningful posterior predictive distributions of the potential outcomes. To the best of our knowledge, ours is the first tailored neural method to provide uncertainty estimates of treatment effects in continuous time. As such, our method is of direct practical value for promoting reliable decision-making in medicine.

Accurate uncertainty estimates are essential for deploying deep object detectors in safety-critical systems. The development and evaluation of probabilistic object detectors have been hindered by shortcomings in existing performance measures, which tend to involve arbitrary thresholds or limit the detector's choice of distributions. In this work, we propose to view object detection as a set prediction task where detectors predict the distribution over the set of objects. Using the negative log-likelihood for random finite sets, we present a proper scoring rule for evaluating and training probabilistic object detectors. The proposed method can be applied to existing probabilistic detectors, is free from thresholds, and enables fair comparison between architectures. Three different types of detectors are evaluated on the COCO dataset. Our results indicate that the training of existing detectors is optimized toward non-probabilistic metrics. We hope to encourage the development of new object detectors that can accurately estimate their own uncertainty. Code available at https://github.com/georghess/pmb-nll.

Masked autoencoding has become a successful pretraining paradigm for Transformer models for text, images, and, recently, point clouds. Raw automotive datasets are suitable candidates for self-supervised pre-training as they generally are cheap to collect compared to annotations for tasks like 3D object detection (OD). However, the development of masked autoencoders for point clouds has focused solely on synthetic and indoor data. Consequently, existing methods have tailored their representations and models toward small and dense point clouds with homogeneous point densities. In this work, we study masked autoencoding for point clouds in an automotive setting, which are sparse and for which the point density can vary drastically among objects in the same scene. To this end, we propose Voxel-MAE, a simple masked autoencoding pre-training scheme designed for voxel representations. We pre-train the backbone of a Transformer-based 3D object detector to reconstruct masked voxels and to distinguish between empty and non-empty voxels. Our method improves the 3D OD performance by 1.75 mAP points and 1.05 NDS on the challenging nuScenes dataset. Further, we show that by pre-training with Voxel-MAE, we require only 40% of the annotated data to outperform a randomly initialized equivalent. Code available at https://github.com/georghess/voxel-mae

Ensuring the safety of autonomous robots, such as self-driving vehicles, requires extensive testing across diverse driving scenarios. Simulation is a key ingredient for conducting such testing in a cost-effective and scalable way. Neural rendering methods have gained popularity, as they can build simulation environments from collected logs in a data-driven manner. However, existing neural radiance field (NeRF) methods for sensor-realistic rendering of camera and lidar data suffer from low rendering speeds, limiting their applicability for large-scale testing. While 3D Gaussian Splatting (3DGS) enables real-time rendering, current methods are limited to camera data and are unable to render lidar data essential for autonomous driving. To address these limitations, we propose SplatAD, the first 3DGS-based method for realistic, real-time rendering of dynamic scenes for both camera and lidar data. SplatAD accurately models key sensor-specific phenomena such as rolling shutter effects, lidar intensity, and lidar ray dropouts, using purpose-built algorithms to optimize rendering efficiency. Evaluation across three autonomous driving datasets demonstrates that SplatAD achieves state-of-the-art rendering quality with up to +2 PSNR for NVS and +3 PSNR for reconstruction while increasing rendering speed over NeRF-based methods by an order of magnitude. See https://research.zenseact.com/publications/splatad/ for our project page.

Reconstructing nonlinear dynamical systems (DS) from data (DSR) is a fundamental challenge in science and engineering, but it inherently relies on sequential models. Recent breakthroughs for sequential models have produced algorithms that parallelize computation along sequence length T, achieving logarithmic time complexity, O(log T). Since sequence lengths have been practically limited due to the linear runtime complexity O(T) of classical backpropagation through time, this opens new avenues for DSR. This paper studies two prominent classes of parallel-in-time algorithms for this task, both of which leverage parallel associative scans as their core computational primitive. The first class comprises models with linear yet non-autonomous dynamics and a nonlinear readout, such as modern State Space Models (SSMs), while the second consists of general nonlinear models which can be parallelized using the DEER framework. We find that the linear training-time recurrence of the first class of models imposes limitations that often hinder learning of accurate nonlinear dynamics. To address this, we augment DEER with Generalized Teacher Forcing (GTF), a novel variant within the more general nonlinear framework that ensures stable and effective learning of nonlinear dynamics across arbitrary sequence lengths. Using GTF-DEER, we investigate the benefits of training on extremely long sequences (T>10^4) for DSR. Our results show that access to such long trajectories significantly improves DSR if the data features long time scales. This work establishes GTF-DEER as a robust tool for data-driven discovery and underscores the largely untapped potential of long-sequence learning in modeling complex DS.

We challenge AI models to "demonstrate understanding" of the sophisticated multimodal humor of The New Yorker Caption Contest. Concretely, we develop three carefully circumscribed tasks for which it suffices (but is not necessary) to grasp potentially complex and unexpected relationships between image and caption, and similarly complex and unexpected allusions to the wide varieties of human experience; these are the hallmarks of a New Yorker-caliber cartoon. We investigate vision-and-language models that take as input the cartoon pixels and caption directly, as well as language-only models for which we circumvent image-processing by providing textual descriptions of the image. Even with the rich multifaceted annotations we provide for the cartoon images, we identify performance gaps between high-quality machine learning models (e.g., a fine-tuned, 175B parameter language model) and humans. We publicly release our corpora including annotations describing the image's locations/entities, what's unusual about the scene, and an explanation of the joke.

In this work we introduce RITA: a suite of autoregressive generative models for protein sequences, with up to 1.2 billion parameters, trained on over 280 million protein sequences belonging to the UniRef-100 database. Such generative models hold the promise of greatly accelerating protein design. We conduct the first systematic study of how capabilities evolve with model size for autoregressive transformers in the protein domain: we evaluate RITA models in next amino acid prediction, zero-shot fitness, and enzyme function prediction, showing benefits from increased scale. We release the RITA models openly, to the benefit of the research community.

The field of explainable artificial intelligence (XAI) aims to uncover the inner workings of complex deep neural models. While being crucial for safety-critical domains, XAI inherently lacks ground-truth explanations, making its automatic evaluation an unsolved problem. We address this challenge by proposing a novel synthetic vision dataset, named FunnyBirds, and accompanying automatic evaluation protocols. Our dataset allows performing semantically meaningful image interventions, e.g., removing individual object parts, which has three important implications. First, it enables analyzing explanations on a part level, which is closer to human comprehension than existing methods that evaluate on a pixel level. Second, by comparing the model output for inputs with removed parts, we can estimate ground-truth part importances that should be reflected in the explanations. Third, by mapping individual explanations into a common space of part importances, we can analyze a variety of different explanation types in a single common framework. Using our tools, we report results for 24 different combinations of neural models and XAI methods, demonstrating the strengths and weaknesses of the assessed methods in a fully automatic and systematic manner.

The performance of algorithms for neural architecture search strongly depends on the parametrization of the search space. We use contrastive learning to identify networks across different initializations based on their data Jacobians, and automatically produce the first architecture embeddings independent from the parametrization of the search space. Using our contrastive embeddings, we show that traditional black-box optimization algorithms, without modification, can reach state-of-the-art performance in Neural Architecture Search. As our method provides a unified embedding space, we perform for the first time transfer learning between search spaces. Finally, we show the evolution of embeddings during training, motivating future studies into using embeddings at different training stages to gain a deeper understanding of the networks in a search space.

Image captioning has conventionally relied on reference-based automatic evaluations, where machine captions are compared against captions written by humans. This is in contrast to the reference-free manner in which humans assess caption quality. In this paper, we report the surprising empirical finding that CLIP (Radford et al., 2021), a cross-modal model pretrained on 400M image+caption pairs from the web, can be used for robust automatic evaluation of image captioning without the need for references. Experiments spanning several corpora demonstrate that our new reference-free metric, CLIPScore, achieves the highest correlation with human judgements, outperforming existing reference-based metrics like CIDEr and SPICE. Information gain experiments demonstrate that CLIPScore, with its tight focus on image-text compatibility, is complementary to existing reference-based metrics that emphasize text-text similarities. Thus, we also present a reference-augmented version, RefCLIPScore, which achieves even higher correlation. Beyond literal description tasks, several case studies reveal domains where CLIPScore performs well (clip-art images, alt-text rating), but also where it is relatively weaker in comparison to reference-based metrics, e.g., news captions that require richer contextual knowledge.

Fairness and environmental impact are important research directions for the sustainable development of artificial intelligence. However, while each topic is an active research area in natural language processing (NLP), there is a surprising lack of research on the interplay between the two fields. This lacuna is highly problematic, since there is increasing evidence that an exclusive focus on fairness can actually hinder environmental sustainability, and vice versa. In this work, we shed light on this crucial intersection in NLP by (1) investigating the efficiency of current fairness approaches through surveying example methods for reducing unfair stereotypical bias from the literature, and (2) evaluating a common technique to reduce energy consumption (and thus environmental impact) of English NLP models, knowledge distillation (KD), for its impact on fairness. In this case study, we evaluate the effect of important KD factors, including layer and dimensionality reduction, with respect to: (a) performance on the distillation task (natural language inference and semantic similarity prediction), and (b) multiple measures and dimensions of stereotypical bias (e.g., gender bias measured via the Word Embedding Association Test). Our results lead us to clarify current assumptions regarding the effect of KD on unfair bias: contrary to other findings, we show that KD can actually decrease model fairness.

The deep reinforcement learning community has made several independent improvements to the DQN algorithm. However, it is unclear which of these extensions are complementary and can be fruitfully combined. This paper examines six extensions to the DQN algorithm and empirically studies their combination. Our experiments show that the combination provides state-of-the-art performance on the Atari 2600 benchmark, both in terms of data efficiency and final performance. We also provide results from a detailed ablation study that shows the contribution of each component to overall performance.

Neural Radiance Fields (NeRFs) have emerged as promising tools for advancing autonomous driving (AD) research, offering scalable closed-loop simulation and data augmentation capabilities. However, to trust the results achieved in simulation, one needs to ensure that AD systems perceive real and rendered data in the same way. Although the performance of rendering methods is increasing, many scenarios will remain inherently challenging to reconstruct faithfully. To this end, we propose a novel perspective for addressing the real-to-simulated data gap. Rather than solely focusing on improving rendering fidelity, we explore simple yet effective methods to enhance perception model robustness to NeRF artifacts without compromising performance on real data. Moreover, we conduct the first large-scale investigation into the real-to-simulated data gap in an AD setting using a state-of-the-art neural rendering technique. Specifically, we evaluate object detectors and an online mapping model on real and simulated data, and study the effects of different fine-tuning strategies.Our results show notable improvements in model robustness to simulated data, even improving real-world performance in some cases. Last, we delve into the correlation between the real-to-simulated gap and image reconstruction metrics, identifying FID and LPIPS as strong indicators. See https://research.zenseact.com/publications/closing-real2sim-gap for our project page.

Multi-object tracking (MOT) is the task of estimating the state trajectories of an unknown and time-varying number of objects over a certain time window. Several algorithms have been proposed to tackle the multi-object smoothing task, where object detections can be conditioned on all the measurements in the time window. However, the best-performing methods suffer from intractable computational complexity and require approximations, performing suboptimally in complex settings. Deep learning based algorithms are a possible venue for tackling this issue but have not been applied extensively in settings where accurate multi-object models are available and measurements are low-dimensional. We propose a novel DL architecture specifically tailored for this setting that decouples the data association task from the smoothing task. We compare the performance of the proposed smoother to the state-of-the-art in different tasks of varying difficulty and provide, to the best of our knowledge, the first comparison between traditional Bayesian trackers and DL trackers in the smoothing problem setting.

Multi-object tracking (MOT) is the problem of tracking the state of an unknown and time-varying number of objects using noisy measurements, with important applications such as autonomous driving, tracking animal behavior, defense systems, and others. In recent years, deep learning (DL) has been increasingly used in MOT for improving tracking performance, but mostly in settings where the measurements are high-dimensional and there are no available models of the measurement likelihood and the object dynamics. The model-based setting instead has not attracted as much attention, and it is still unclear if DL methods can outperform traditional model-based Bayesian methods, which are the state of the art (SOTA) in this context. In this paper, we propose a Transformer-based DL tracker and evaluate its performance in the model-based setting, comparing it to SOTA model-based Bayesian methods in a variety of different tasks. Our results show that the proposed DL method can match the performance of the model-based methods in simple tasks, while outperforming them when the task gets more complicated, either due to an increase in the data association complexity, or to stronger nonlinearities of the models of the environment.

Multitarget Tracking (MTT) is the problem of tracking the states of an unknown number of objects using noisy measurements, with important applications to autonomous driving, surveillance, robotics, and others. In the model-based Bayesian setting, there are conjugate priors that enable us to express the multi-object posterior in closed form, which could theoretically provide Bayes-optimal estimates. However, the posterior involves a super-exponential growth of the number of hypotheses over time, forcing state-of-the-art methods to resort to approximations for remaining tractable, which can impact their performance in complex scenarios. Model-free methods based on deep-learning provide an attractive alternative, as they can, in principle, learn the optimal filter from data, but to the best of our knowledge were never compared to current state-of-the-art Bayesian filters, specially not in contexts where accurate models are available. In this paper, we propose a high-performing deep-learning method for MTT based on the Transformer architecture and compare it to two state-of-the-art Bayesian filters, in a setting where we assume the correct model is provided. Although this gives an edge to the model-based filters, it also allows us to generate unlimited training data. We show that the proposed model outperforms state-of-the-art Bayesian filters in complex scenarios, while matching their performance in simpler cases, which validates the applicability of deep-learning also in the model-based regime. The code for all our implementations is made available at https://github.com/JulianoLagana/MT3 .

Many travel decisions involve a degree of experience formation, where individuals learn their preferences over time. At the same time, there is extensive scope for heterogeneity across individual travellers, both in their underlying preferences and in how these evolve. The present paper puts forward a Latent Class Reinforcement Learning (LCRL) model that allows analysts to capture both of these phenomena. We apply the model to a driving simulator dataset and estimate the parameters through Variational Bayes. We identify three distinct classes of individuals that differ markedly in how they adapt their preferences: the first displays context-dependent preferences with context-specific exploitative tendencies; the second follows a persistent exploitative strategy regardless of context; and the third engages in an exploratory strategy combined with context-specific preferences.

We present SODA: the first publicly available, million-scale high-quality social dialogue dataset. Using SODA, we train COSMO: a generalizable conversation agent outperforming previous best-performing agents on both in- and out-of-domain datasets. In contrast to most existing crowdsourced, small-scale dialogue corpora, we distill 1.5M socially-grounded dialogues from a pre-trained language model (InstructGPT; Ouyang et al., 2022). Dialogues are distilled by contextualizing social commonsense knowledge from a knowledge graph (Atomic10x; West et al., 2022). Human evaluation shows that dialogues in SODA are more consistent, specific, and (surprisingly) natural than prior human-authored datasets - e.g., DailyDialog (Li et al., 2017), BlendedSkillTalk (Smith et al., 2020). In addition, extensive evaluations show that COSMO is significantly more natural and consistent on unseen datasets than best-performing dialogue models - e.g., GODEL (Peng et al., 2022), BlenderBot (Roller et al., 2021), DialoGPT (Zhang et al., 2020). Furthermore, it is sometimes even preferred to the original human-written gold responses. We make our data, models, and code public.

In-context vision and language models like Flamingo support arbitrarily interleaved sequences of images and text as input. This format not only enables few-shot learning via interleaving independent supervised (image, text) examples, but also, more complex prompts involving interaction between images, e.g., "What do image A and image B have in common?" To support this interface, pretraining occurs over web corpora that similarly contain interleaved images+text. To date, however, large-scale data of this form have not been publicly available. We release Multimodal C4 (mmc4), an augmentation of the popular text-only c4 corpus with images interleaved. We use a linear assignment algorithm to place images into longer bodies of text using CLIP features, a process that we show outperforms alternatives. mmc4 spans everyday topics like cooking, travel, technology, etc. A manual inspection of a random sample of documents shows that a vast majority (90%) of images are topically relevant, and that linear assignment frequently selects individual sentences specifically well-aligned with each image (78%). After filtering NSFW images, ads, etc., the corpus contains 103M documents containing 585M images interleaved with 43B English tokens.

Visual information is central to conversation: body gestures and physical behaviour, for example, contribute to meaning that transcends words alone. To date, however, most neural conversational models are limited to just text. We introduce CHAMPAGNE, a generative model of conversations that can account for visual contexts. To train CHAMPAGNE, we collect and release YTD-18M, a large-scale corpus of 18M video-based dialogues. YTD-18M is constructed from web videos: crucial to our data collection pipeline is a pretrained language model that converts error-prone automatic transcripts to a cleaner dialogue format while maintaining meaning. Human evaluation reveals that YTD-18M is more sensible and specific than prior resources (MMDialog, 1M dialogues), while maintaining visual-groundedness. Experiments demonstrate that 1) CHAMPAGNE learns to conduct conversation from YTD-18M; and 2) when fine-tuned, it achieves state-of-the-art results on four vision-language tasks focused on real-world conversations. We release data, models, and code.

We propose a lightweight scheme where the formation of a data block is changed in such a way that it can tolerate soft errors significantly better than the baseline. The key insight behind our work is that CNN weights are normalized between -1 and 1 after each convolutional layer, and this leaves one bit unused in half-precision floating-point representation. By taking advantage of the unused bit, we create a backup for the most significant bit to protect it against the soft errors. Also, considering the fact that in MLC STT-RAMs the cost of memory operations (read and write), and reliability of a cell are content-dependent (some patterns take larger current and longer time, while they are more susceptible to soft error), we rearrange the data block to minimize the number of costly bit patterns. Combining these two techniques provides the same level of accuracy compared to an error-free baseline while improving the read and write energy by 9% and 6%, respectively.

Large language models are increasingly capable of generating fluent-appearing text with relatively little task-specific supervision. But can these models accurately explain classification decisions? We consider the task of generating free-text explanations using human-written examples in a few-shot manner. We find that (1) authoring higher quality prompts results in higher quality generations; and (2) surprisingly, in a head-to-head comparison, crowdworkers often prefer explanations generated by GPT-3 to crowdsourced explanations in existing datasets. Our human studies also show, however, that while models often produce factual, grammatical, and sufficient explanations, they have room to improve along axes such as providing novel information and supporting the label. We create a pipeline that combines GPT-3 with a supervised filter that incorporates binary acceptability judgments from humans in the loop. Despite the intrinsic subjectivity of acceptability judgments, we demonstrate that acceptability is partially correlated with various fine-grained attributes of explanations. Our approach is able to consistently filter GPT-3-generated explanations deemed acceptable by humans.

Instruction following vision-language (VL) models offer a flexible interface that supports a broad range of multimodal tasks in a zero-shot fashion. However, interfaces that operate on full images do not directly enable the user to "point to" and access specific regions within images. This capability is important not only to support reference-grounded VL benchmarks, but also, for practical applications that require precise within-image reasoning. We build Localized Visual Commonsense models, which allow users to specify (multiple) regions as input. We train our model by sampling localized commonsense knowledge from a large language model (LLM): specifically, we prompt an LLM to collect commonsense knowledge given a global literal image description and a local literal region description automatically generated by a set of VL models. With a separately trained critic model that selects high-quality examples, we find that training on the localized commonsense corpus can successfully distill existing VL models to support a reference-as-input interface. Empirical results and human evaluations in a zero-shot setup demonstrate that our distillation method results in more precise VL models of reasoning compared to a baseline of passing a generated referring expression to an LLM.

Recent vision-language (VL) models are powerful, but can they reliably distinguish "right" from "left"? We curate three new corpora to quantify model comprehension of such basic spatial relations. These tests isolate spatial reasoning more precisely than existing datasets like VQAv2, e.g., our What'sUp benchmark contains sets of photographs varying only the spatial relations of objects, keeping their identity fixed (see Figure 1: models must comprehend not only the usual case of a dog under a table, but also, the same dog on top of the same table). We evaluate 18 VL models, finding that all perform poorly, e.g., BLIP finetuned on VQAv2, which nears human parity on VQAv2, achieves 56% accuracy on our benchmarks vs. humans at 99%. We conclude by studying causes of this surprising behavior, finding: 1) that popular vision-language pretraining corpora like LAION-2B contain little reliable data for learning spatial relationships; and 2) that basic modeling interventions like up-weighting preposition-containing instances or fine-tuning on our corpora are not sufficient to address the challenges our benchmarks pose. We are hopeful that these corpora will facilitate further research, and we release our data and code at https://github.com/amitakamath/whatsup_vlms.

Poisson noise suppression is an important preprocessing step in several applications, such as medical imaging, microscopy, and astronomical imaging. In this work, we propose a novel patch-wise Poisson noise removal strategy, in which the MMSE estimator is utilized in order to produce the denoising result for each image patch. Fast and accurate computation of the MMSE estimator is carried out using k-d tree search followed by search in the K-nearest neighbor graph. Our experiments show that the proposed method is the preferable choice for low signal-to-noise ratios.

Chain-of-thought prompting (e.g., "Let's think step-by-step") primes large language models to verbalize rationalization for their predictions. While chain-of-thought can lead to dramatic performance gains, benefits appear to emerge only for sufficiently large models (beyond 50B parameters). We show that orders-of-magnitude smaller models (125M -- 1.3B parameters) can still benefit from chain-of-thought prompting. To achieve this, we introduce Symbolic Chain-of-Thought Distillation (SCoTD), a method to train a smaller student model on rationalizations sampled from a significantly larger teacher model. Experiments across several commonsense benchmarks show that: 1) SCoTD enhances the performance of the student model in both supervised and few-shot settings, and especially for challenge sets; 2) sampling many reasoning chains per instance from the teacher is paramount; and 3) after distillation, student chain-of-thoughts are judged by humans as comparable to the teacher, despite orders of magnitude fewer parameters. We test several hypotheses regarding what properties of chain-of-thought samples are important, e.g., diversity vs. teacher likelihood vs. open-endedness. We release our corpus of chain-of-thought samples and code.

Advancements in high-computing devices increase the necessity for improved and new understanding and development of smart manufacturing factories. Discrete-event models with simulators have been shown to be critical to architect, designing, building, and operating the manufacturing of semiconductor chips. The diffusion, implantation, and lithography machines have intricate processes due to their feedforward and feedback connectivity. The dataset collected from simulations of the factory models holds the promise of generating valuable machine-learning models. As surrogate data-based models, their executions are highly efficient compared to the physics-based counterpart models. For the development of surrogate models, it is beneficial to have publicly available benchmark simulation models that are grounded in factory models that have concise structures and accurate behaviors. Hence, in this research, a dataset is devised and constructed based on a benchmark model of an Intel semiconductor fabrication factory. The model is formalized using the Parallel Discrete-Event System Specification and executed using the DEVS-Suite simulator. The time series dataset is constructed using discrete-event time trajectories. This dataset is further analyzed and used to develop baseline univariate and multivariate machine learning models. The dataset can also be utilized in the machine learning community for behavioral analysis based on formalized and scalable component-based discrete-event models and simulations.

Machines that can represent and describe environmental soundscapes have practical potential, e.g., for audio tagging and captioning systems. Prevailing learning paradigms have been relying on parallel audio-text data, which is, however, scarcely available on the web. We propose VIP-ANT that induces Audio-Text alignment without using any parallel audio-text data. Our key idea is to share the image modality between bi-modal image-text representations and bi-modal image-audio representations; the image modality functions as a pivot and connects audio and text in a tri-modal embedding space implicitly. In a difficult zero-shot setting with no paired audio-text data, our model demonstrates state-of-the-art zero-shot performance on the ESC50 and US8K audio classification tasks, and even surpasses the supervised state of the art for Clotho caption retrieval (with audio queries) by 2.2\% R@1. We further investigate cases of minimal audio-text supervision, finding that, e.g., just a few hundred supervised audio-text pairs increase the zero-shot audio classification accuracy by 8\% on US8K. However, to match human parity on some zero-shot tasks, our empirical scaling experiments suggest that we would need about 2^{21} approx 2M supervised audio-caption pairs. Our work opens up new avenues for learning audio-text connections with little to no parallel audio-text data.

Neural radiance fields (NeRFs) have gained popularity in the autonomous driving (AD) community. Recent methods show NeRFs' potential for closed-loop simulation, enabling testing of AD systems, and as an advanced training data augmentation technique. However, existing methods often require long training times, dense semantic supervision, or lack generalizability. This, in turn, hinders the application of NeRFs for AD at scale. In this paper, we propose NeuRAD, a robust novel view synthesis method tailored to dynamic AD data. Our method features simple network design, extensive sensor modeling for both camera and lidar -- including rolling shutter, beam divergence and ray dropping -- and is applicable to multiple datasets out of the box. We verify its performance on five popular AD datasets, achieving state-of-the-art performance across the board. To encourage further development, we will openly release the NeuRAD source code. See https://github.com/georghess/NeuRAD .

Large language models (LLMs) use data to learn about the world in order to produce meaningful correlations and predictions. As such, the nature, scale, quality, and diversity of the datasets used to train these models, or to support their work at inference time, have a direct impact on their quality. The rapid development and adoption of LLMs of varying quality has brought into focus the scarcity of publicly available, high-quality training data and revealed an urgent need to ground the stewardship of these datasets in sustainable practices with clear provenance chains. To that end, this technical report introduces Institutional Books 1.0, a large collection of public domain books originally digitized through Harvard Library's participation in the Google Books project, beginning in 2006. Working with Harvard Library, we extracted, analyzed, and processed these volumes into an extensively-documented dataset of historic texts. This analysis covers the entirety of Harvard Library's collection scanned as part of that project, originally spanning 1,075,899 volumes written in over 250 different languages for a total of approximately 250 billion tokens. As part of this initial release, the OCR-extracted text (original and post-processed) as well as the metadata (bibliographic, source, and generated) of the 983,004 volumes, or 242B tokens, identified as being in the public domain have been made available. This report describes this project's goals and methods as well as the results of the analyses we performed, all in service of making this historical collection more accessible and easier for humans and machines alike to filter, read and use.

Neural networks are often highly sensitive to input and weight perturbations. This sensitivity has been linked to pathologies such as vulnerability to adversarial examples, divergent training, and overfitting. To combat these problems, past research has looked at building neural networks entirely from Lipschitz components. However, these techniques have not matured to the point where researchers have trained a modern architecture such as a transformer with a Lipschitz certificate enforced beyond initialization. To explore this gap, we begin by developing and benchmarking novel, computationally-efficient tools for maintaining norm-constrained weight matrices. Applying these tools, we are able to train transformer models with Lipschitz bounds enforced throughout training. We find that optimizer dynamics matter: switching from AdamW to Muon improves standard methods -- weight decay and spectral normalization -- allowing models to reach equal performance with a lower Lipschitz bound. Inspired by Muon's update having a fixed spectral norm, we co-design a weight constraint method that improves the Lipschitz vs. performance tradeoff on MLPs and 2M parameter transformers. Our 2-Lipschitz transformer on Shakespeare text reaches validation accuracy 60%. Scaling to 145M parameters, our 10-Lipschitz transformer reaches 21% accuracy on internet text. However, to match the NanoGPT baseline validation accuracy of 39.4%, our Lipschitz upper bound increases to 10^264. Nonetheless, our Lipschitz transformers train without stability measures such as layer norm, QK norm, and logit tanh softcapping.

The dataset was collected for 332 compute nodes throughout May 19 - 23, 2023. May 19 - 22 characterizes normal compute cluster behavior, while May 23 includes an anomalous event. The dataset includes eight CPU, 11 disk, 47 memory, and 22 Slurm metrics. It represents five distinct hardware configurations and contains over one million records, totaling more than 180GB of raw data.

In recent years there have been many successes of using deep representations in reinforcement learning. Still, many of these applications use conventional architectures, such as convolutional networks, LSTMs, or auto-encoders. In this paper, we present a new neural network architecture for model-free reinforcement learning. Our dueling network represents two separate estimators: one for the state value function and one for the state-dependent action advantage function. The main benefit of this factoring is to generalize learning across actions without imposing any change to the underlying reinforcement learning algorithm. Our results show that this architecture leads to better policy evaluation in the presence of many similar-valued actions. Moreover, the dueling architecture enables our RL agent to outperform the state-of-the-art on the Atari 2600 domain.

Weird, unusual, and uncanny images pique the curiosity of observers because they challenge commonsense. For example, an image released during the 2022 world cup depicts the famous soccer stars Lionel Messi and Cristiano Ronaldo playing chess, which playfully violates our expectation that their competition should occur on the football field. Humans can easily recognize and interpret these unconventional images, but can AI models do the same? We introduce WHOOPS!, a new dataset and benchmark for visual commonsense. The dataset is comprised of purposefully commonsense-defying images created by designers using publicly-available image generation tools like Midjourney. We consider several tasks posed over the dataset. In addition to image captioning, cross-modal matching, and visual question answering, we introduce a difficult explanation generation task, where models must identify and explain why a given image is unusual. Our results show that state-of-the-art models such as GPT3 and BLIP2 still lag behind human performance on WHOOPS!. We hope our dataset will inspire the development of AI models with stronger visual commonsense reasoning abilities. Data, models and code are available at the project website: whoops-benchmark.github.io

The crystallization of modeling methods around the Transformer architecture has been a boon for practitioners. Simple, well-motivated architectural variations can transfer across tasks and scale, increasing the impact of modeling research. However, with the emergence of state-of-the-art 100B+ parameters models, large language models are increasingly expensive to accurately design and train. Notably, it can be difficult to evaluate how modeling decisions may impact emergent capabilities, given that these capabilities arise mainly from sheer scale alone. In the process of building BLOOM--the Big Science Large Open-science Open-access Multilingual language model--our goal is to identify an architecture and training setup that makes the best use of our 1,000,000 A100-GPU-hours budget. Specifically, we perform an ablation study at the billion-parameter scale comparing different modeling practices and their impact on zero-shot generalization. In addition, we study the impact of various popular pre-training corpora on zero-shot generalization. We also study the performance of a multilingual model and how it compares to the English-only one. Finally, we consider the scaling behaviour of Transformers to choose the target model size, shape, and training setup. All our models and code are open-sourced at https://huggingface.co/bigscience .

Large pretrained Transformer language models have been shown to exhibit zero-shot generalization, i.e. they can perform a wide variety of tasks that they were not explicitly trained on. However, the architectures and pretraining objectives used across state-of-the-art models differ significantly, and there has been limited systematic comparison of these factors. In this work, we present a large-scale evaluation of modeling choices and their impact on zero-shot generalization. In particular, we focus on text-to-text models and experiment with three model architectures (causal/non-causal decoder-only and encoder-decoder), trained with two different pretraining objectives (autoregressive and masked language modeling), and evaluated with and without multitask prompted finetuning. We train models with over 5 billion parameters for more than 170 billion tokens, thereby increasing the likelihood that our conclusions will transfer to even larger scales. Our experiments show that causal decoder-only models trained on an autoregressive language modeling objective exhibit the strongest zero-shot generalization after purely unsupervised pretraining. However, models with non-causal visibility on their input trained with a masked language modeling objective followed by multitask finetuning perform the best among our experiments. We therefore consider the adaptation of pretrained models across architectures and objectives. We find that pretrained non-causal decoder models can be adapted into performant generative causal decoder models, using autoregressive language modeling as a downstream task. Furthermore, we find that pretrained causal decoder models can be efficiently adapted into non-causal decoder models, ultimately achieving competitive performance after multitask finetuning. Code and checkpoints are available at https://github.com/bigscience-workshop/architecture-objective.

Large language models are commonly trained on a mixture of filtered web data and curated high-quality corpora, such as social media conversations, books, or technical papers. This curation process is believed to be necessary to produce performant models with broad zero-shot generalization abilities. However, as larger models requiring pretraining on trillions of tokens are considered, it is unclear how scalable is curation and whether we will run out of unique high-quality data soon. At variance with previous beliefs, we show that properly filtered and deduplicated web data alone can lead to powerful models; even significantly outperforming models from the state-of-the-art trained on The Pile. Despite extensive filtering, the high-quality data we extract from the web is still plentiful, and we are able to obtain five trillion tokens from CommonCrawl. We publicly release an extract of 600 billion tokens from our RefinedWeb dataset, and 1.3/7.5B parameters language models trained on it.

Recent work has identified simple empirical scaling laws for language models, linking compute budget, dataset size, model size, and autoregressive modeling loss. The validity of these simple power laws across orders of magnitude in model scale provides compelling evidence that larger models are also more capable models. However, scaling up models under the constraints of hardware and infrastructure is no easy feat, and rapidly becomes a hard and expensive engineering problem. We investigate ways to tentatively cheat scaling laws, and train larger models for cheaper. We emulate an increase in effective parameters, using efficient approximations: either by doping the models with frozen random parameters, or by using fast structured transforms in place of dense linear layers. We find that the scaling relationship between test loss and compute depends only on the actual number of trainable parameters; scaling laws cannot be deceived by spurious parameters.

We introduce VisIT-Bench (Visual InsTruction Benchmark), a benchmark for evaluation of instruction-following vision-language models for real-world use. Our starting point is curating 70 'instruction families' that we envision instruction tuned vision-language models should be able to address. Extending beyond evaluations like VQAv2 and COCO, tasks range from basic recognition to game playing and creative generation. Following curation, our dataset comprises 592 test queries, each with a human-authored instruction-conditioned caption. These descriptions surface instruction-specific factors, e.g., for an instruction asking about the accessibility of a storefront for wheelchair users, the instruction-conditioned caption describes ramps/potential obstacles. These descriptions enable 1) collecting human-verified reference outputs for each instance; and 2) automatic evaluation of candidate multimodal generations using a text-only LLM, aligning with human judgment. We quantify quality gaps between models and references using both human and automatic evaluations; e.g., the top-performing instruction-following model wins against the GPT-4 reference in just 27% of the comparison. VisIT-Bench is dynamic to participate, practitioners simply submit their model's response on the project website; Data, code and leaderboard is available at visit-bench.github.io.

Large-scale language models often learn behaviors that are misaligned with user expectations. Generated text may contain offensive or toxic language, contain significant repetition, or be of a different sentiment than desired by the user. We consider the task of unlearning these misalignments by fine-tuning the language model on signals of what not to do. We introduce Quantized Reward Konditioning (Quark), an algorithm for optimizing a reward function that quantifies an (un)wanted property, while not straying too far from the original model. Quark alternates between (i) collecting samples with the current language model, (ii) sorting them into quantiles based on reward, with each quantile identified by a reward token prepended to the language model's input, and (iii) using a standard language modeling loss on samples from each quantile conditioned on its reward token, while remaining nearby the original language model via a KL-divergence penalty. By conditioning on a high-reward token at generation time, the model generates text that exhibits less of the unwanted property. For unlearning toxicity, negative sentiment, and repetition, our experiments show that Quark outperforms both strong baselines and state-of-the-art reinforcement learning methods like PPO (Schulman et al. 2017), while relying only on standard language modeling primitives.

As humans, we understand events in the visual world contextually, performing multimodal reasoning across time to make inferences about the past, present, and future. We introduce MERLOT, a model that learns multimodal script knowledge by watching millions of YouTube videos with transcribed speech -- in an entirely label-free, self-supervised manner. By pretraining with a mix of both frame-level (spatial) and video-level (temporal) objectives, our model not only learns to match images to temporally corresponding words, but also to contextualize what is happening globally over time. As a result, MERLOT exhibits strong out-of-the-box representations of temporal commonsense, and achieves state-of-the-art performance on 12 different video QA datasets when finetuned. It also transfers well to the world of static images, allowing models to reason about the dynamic context behind visual scenes. On Visual Commonsense Reasoning, MERLOT answers questions correctly with 80.6% accuracy, outperforming state-of-the-art models of similar size by over 3%, even those that make heavy use of auxiliary supervised data (like object bounding boxes). Ablation analyses demonstrate the complementary importance of: 1) training on videos versus static images; 2) scaling the magnitude and diversity of the pretraining video corpus; and 3) using diverse objectives that encourage full-stack multimodal reasoning, from the recognition to cognition level.

The common practice for training commonsense models has gone from-human-to-corpus-to-machine: humans author commonsense knowledge graphs in order to train commonsense models. In this work, we investigate an alternative, from-machine-to-corpus-to-machine: general language models author these commonsense knowledge graphs to train commonsense models. Our study leads to a new framework, Symbolic Knowledge Distillation. As with prior art in Knowledge Distillation (Hinton et al., 2015), our approach uses larger models to teach smaller models. A key difference is that we distill knowledge symbolically-as text-in addition to the neural model. We also distill only one aspect-the commonsense of a general language model teacher, allowing the student to be a different type, a commonsense model. Altogether, we show that careful prompt engineering and a separately trained critic model allow us to selectively distill high-quality causal commonsense from GPT-3, a general language model. Empirical results demonstrate that, for the first time, a human-authored commonsense knowledge graph is surpassed by our automatically distilled variant in all three criteria: quantity, quality, and diversity. In addition, it results in a neural commonsense model that surpasses the teacher model's commonsense capabilities despite its 100x smaller size. We apply this to the ATOMIC resource, and share our new symbolic knowledge graph and commonsense models.

Based on the theory of homogeneous spaces we derive geometrically optimal edge attributes to be used within the flexible message-passing framework. We formalize the notion of weight sharing in convolutional networks as the sharing of message functions over point-pairs that should be treated equally. We define equivalence classes of point-pairs that are identical up to a transformation in the group and derive attributes that uniquely identify these classes. Weight sharing is then obtained by conditioning message functions on these attributes. As an application of the theory, we develop an efficient equivariant group convolutional network for processing 3D point clouds. The theory of homogeneous spaces tells us how to do group convolutions with feature maps over the homogeneous space of positions R^3, position and orientations R^3 {times} S^2, and the group SE(3) itself. Among these, R^3 {times} S^2 is an optimal choice due to the ability to represent directional information, which R^3 methods cannot, and it significantly enhances computational efficiency compared to indexing features on the full SE(3) group. We support this claim with state-of-the-art results -- in accuracy and speed -- on five different benchmarks in 2D and 3D, including interatomic potential energy prediction, trajectory forecasting in N-body systems, and generating molecules via equivariant diffusion models.

Chatbots such as GPT-4 and ChatGPT are now serving millions of users. Despite their widespread use, there remains a lack of public datasets showcasing how these tools are used by a population of users in practice. To bridge this gap, we offered free access to ChatGPT for online users in exchange for their affirmative, consensual opt-in to anonymously collect their chat transcripts and request headers. From this, we compiled WildChat, a corpus of 1 million user-ChatGPT conversations, which consists of over 2.5 million interaction turns. We compare WildChat with other popular user-chatbot interaction datasets, and find that our dataset offers the most diverse user prompts, contains the largest number of languages, and presents the richest variety of potentially toxic use-cases for researchers to study. In addition to timestamped chat transcripts, we enrich the dataset with demographic data, including state, country, and hashed IP addresses, alongside request headers. This augmentation allows for more detailed analysis of user behaviors across different geographical regions and temporal dimensions. Finally, because it captures a broad range of use cases, we demonstrate the dataset's potential utility in fine-tuning instruction-following models. WildChat is released at https://wildchat.allen.ai under AI2 ImpACT Licenses.

The increasing availability of real-world conversation data offers exciting opportunities for researchers to study user-chatbot interactions. However, the sheer volume of this data makes manually examining individual conversations impractical. To overcome this challenge, we introduce WildVis, an interactive tool that enables fast, versatile, and large-scale conversation analysis. WildVis provides search and visualization capabilities in the text and embedding spaces based on a list of criteria. To manage million-scale datasets, we implemented optimizations including search index construction, embedding precomputation and compression, and caching to ensure responsive user interactions within seconds. We demonstrate WildVis's utility through three case studies: facilitating chatbot misuse research, visualizing and comparing topic distributions across datasets, and characterizing user-specific conversation patterns. WildVis is open-source and designed to be extendable, supporting additional datasets and customized search and visualization functionalities.

Given the growing influx of misinformation across news and social media, there is a critical need for systems that can provide effective real-time verification of news claims. Large language or multimodal model based verification has been proposed to scale up online policing mechanisms for mitigating spread of false and harmful content. While these can potentially reduce burden on human fact-checkers, such efforts may be hampered by foundation model training data becoming outdated. In this work, we test the limits of improving foundation model performance without continual updating through an initial study of knowledge transfer using either existing intra- and inter- domain benchmarks or explanations generated from large language models (LLMs). We evaluate on 12 public benchmarks for fact-checking and misinformation detection as well as two other tasks relevant to content moderation -- toxicity and stance detection. Our results on two recent multi-modal fact-checking benchmarks, Mocheg and Fakeddit, indicate that knowledge transfer strategies can improve Fakeddit performance over the state-of-the-art by up to 1.7% and Mocheg performance by up to 2.9%.

This paper introduces DeeCLIP, a novel framework for detecting AI-generated images using CLIP-ViT and fusion learning. Despite significant advancements in generative models capable of creating highly photorealistic images, existing detection methods often struggle to generalize across different models and are highly sensitive to minor perturbations. To address these challenges, DeeCLIP incorporates DeeFuser, a fusion module that combines high-level and low-level features, improving robustness against degradations such as compression and blurring. Additionally, we apply triplet loss to refine the embedding space, enhancing the model's ability to distinguish between real and synthetic content. To further enable lightweight adaptation while preserving pre-trained knowledge, we adopt parameter-efficient fine-tuning using low-rank adaptation (LoRA) within the CLIP-ViT backbone. This approach supports effective zero-shot learning without sacrificing generalization. Trained exclusively on 4-class ProGAN data, DeeCLIP achieves an average accuracy of 89.00% on 19 test subsets composed of generative adversarial network (GAN) and diffusion models. Despite having fewer trainable parameters, DeeCLIP outperforms existing methods, demonstrating superior robustness against various generative models and real-world distortions. The code is publicly available at https://github.com/Mamadou-Keita/DeeCLIP for research purposes.

Large language models (LLMs) with chain-of-thought reasoning achieve state-of-the-art performance across complex problem-solving tasks, but their verbose reasoning traces and large context requirements make them impractical for edge deployment. These challenges include high token generation costs, large KV-cache footprints, and inefficiencies when distilling reasoning capabilities into smaller models for mobile devices. Existing approaches often rely on distilling reasoning traces from larger models into smaller models, which are verbose and stylistically redundant, undesirable for on-device inference. In this work, we propose a lightweight approach to enable reasoning in small LLMs using LoRA adapters combined with supervised fine-tuning. We further introduce budget forcing via reinforcement learning on these adapters, significantly reducing response length with minimal accuracy loss. To address memory-bound decoding, we exploit parallel test-time scaling, improving accuracy at minor latency increase. Finally, we present a dynamic adapter-switching mechanism that activates reasoning only when needed and a KV-cache sharing strategy during prompt encoding, reducing time-to-first-token for on-device inference. Experiments on Qwen2.5-7B demonstrate that our method achieves efficient, accurate reasoning under strict resource constraints, making LLM reasoning practical for mobile scenarios. Videos demonstrating our solution running on mobile devices are available on our project page.

Existing datasets for autonomous driving (AD) often lack diversity and long-range capabilities, focusing instead on 360{\deg} perception and temporal reasoning. To address this gap, we introduce Zenseact Open Dataset (ZOD), a large-scale and diverse multimodal dataset collected over two years in various European countries, covering an area 9x that of existing datasets. ZOD boasts the highest range and resolution sensors among comparable datasets, coupled with detailed keyframe annotations for 2D and 3D objects (up to 245m), road instance/semantic segmentation, traffic sign recognition, and road classification. We believe that this unique combination will facilitate breakthroughs in long-range perception and multi-task learning. The dataset is composed of Frames, Sequences, and Drives, designed to encompass both data diversity and support for spatio-temporal learning, sensor fusion, localization, and mapping. Frames consist of 100k curated camera images with two seconds of other supporting sensor data, while the 1473 Sequences and 29 Drives include the entire sensor suite for 20 seconds and a few minutes, respectively. ZOD is the only large-scale AD dataset released under a permissive license, allowing for both research and commercial use. The dataset is accompanied by an extensive development kit. Data and more information are available online (https://zod.zenseact.com).

Large language models (LLMs) have been shown to be able to perform new tasks based on a few demonstrations or natural language instructions. While these capabilities have led to widespread adoption, most LLMs are developed by resource-rich organizations and are frequently kept from the public. As a step towards democratizing this powerful technology, we present BLOOM, a 176B-parameter open-access language model designed and built thanks to a collaboration of hundreds of researchers. BLOOM is a decoder-only Transformer language model that was trained on the ROOTS corpus, a dataset comprising hundreds of sources in 46 natural and 13 programming languages (59 in total). We find that BLOOM achieves competitive performance on a wide variety of benchmarks, with stronger results after undergoing multitask prompted finetuning. To facilitate future research and applications using LLMs, we publicly release our models and code under the Responsible AI License.

We fine-tune GPT-3 to answer long-form questions using a text-based web-browsing environment, which allows the model to search and navigate the web. By setting up the task so that it can be performed by humans, we are able to train models on the task using imitation learning, and then optimize answer quality with human feedback. To make human evaluation of factual accuracy easier, models must collect references while browsing in support of their answers. We train and evaluate our models on ELI5, a dataset of questions asked by Reddit users. Our best model is obtained by fine-tuning GPT-3 using behavior cloning, and then performing rejection sampling against a reward model trained to predict human preferences. This model's answers are preferred by humans 56% of the time to those of our human demonstrators, and 69% of the time to the highest-voted answer from Reddit.

Alternatives to backpropagation have long been studied to better understand how biological brains may learn. Recently, they have also garnered interest as a way to train neural networks more efficiently. By relaxing constraints inherent to backpropagation (e.g., symmetric feedforward and feedback weights, sequential updates), these methods enable promising prospects, such as local learning. However, the tradeoffs between different methods in terms of final task performance, convergence speed, and ultimately compute and data requirements are rarely outlined. In this work, we use scaling laws to study the ability of Direct Feedback Alignment~(DFA) to train causal decoder-only Transformers efficiently. Scaling laws provide an overview of the tradeoffs implied by a modeling decision, up to extrapolating how it might transfer to increasingly large models. We find that DFA fails to offer more efficient scaling than backpropagation: there is never a regime for which the degradation in loss incurred by using DFA is worth the potential reduction in compute budget. Our finding comes at variance with previous beliefs in the alternative training methods community, and highlights the need for holistic empirical approaches to better understand modeling decisions.

We introduce LightOn's Optical Processing Unit (OPU), the first photonic AI accelerator chip available on the market for at-scale Non von Neumann computations, reaching 1500 TeraOPS. It relies on a combination of free-space optics with off-the-shelf components, together with a software API allowing a seamless integration within Python-based processing pipelines. We discuss a variety of use cases and hybrid network architectures, with the OPU used in combination of CPU/GPU, and draw a pathway towards "optical advantage".

In this work we explore recent advances in instruction-tuning language models on a range of open instruction-following datasets. Despite recent claims that open models can be on par with state-of-the-art proprietary models, these claims are often accompanied by limited evaluation, making it difficult to compare models across the board and determine the utility of various resources. We provide a large set of instruction-tuned models from 6.7B to 65B parameters in size, trained on 12 instruction datasets ranging from manually curated (e.g., OpenAssistant) to synthetic and distilled (e.g., Alpaca) and systematically evaluate them on their factual knowledge, reasoning, multilinguality, coding, and open-ended instruction following abilities through a collection of automatic, model-based, and human-based metrics. We further introduce T\"ulu, our best performing instruction-tuned model suite finetuned on a combination of high-quality open resources. Our experiments show that different instruction-tuning datasets can uncover or enhance specific skills, while no single dataset (or combination) provides the best performance across all evaluations. Interestingly, we find that model and human preference-based evaluations fail to reflect differences in model capabilities exposed by benchmark-based evaluations, suggesting the need for the type of systemic evaluation performed in this work. Our evaluations show that the best model in any given evaluation reaches on average 83% of ChatGPT performance, and 68% of GPT-4 performance, suggesting that further investment in building better base models and instruction-tuning data is required to close the gap. We release our instruction-tuned models, including a fully finetuned 65B T\"ulu, along with our code, data, and evaluation framework at https://github.com/allenai/open-instruct to facilitate future research.

Surprising videos, e.g., funny clips, creative performances, or visual illusions, attract significant attention. Enjoyment of these videos is not simply a response to visual stimuli; rather, it hinges on the human capacity to understand (and appreciate) commonsense violations depicted in these videos. We introduce FunQA, a challenging video question answering (QA) dataset specifically designed to evaluate and enhance the depth of video reasoning based on counter-intuitive and fun videos. Unlike most video QA benchmarks which focus on less surprising contexts, e.g., cooking or instructional videos, FunQA covers three previously unexplored types of surprising videos: 1) HumorQA, 2) CreativeQA, and 3) MagicQA. For each subset, we establish rigorous QA tasks designed to assess the model's capability in counter-intuitive timestamp localization, detailed video description, and reasoning around counter-intuitiveness. We also pose higher-level tasks, such as attributing a fitting and vivid title to the video, and scoring the video creativity. In total, the FunQA benchmark consists of 312K free-text QA pairs derived from 4.3K video clips, spanning a total of 24 video hours. Extensive experiments with existing VideoQA models reveal significant performance gaps for the FunQA videos across spatial-temporal reasoning, visual-centered reasoning, and free-text generation.

Large language models readily adapt to novel settings, even without task-specific training data. Can their zero-shot capacity be extended to multimodal inputs? In this work, we propose ESPER which extends language-only zero-shot models to unseen multimodal tasks, like image and audio captioning. Our key novelty is to use reinforcement learning to align multimodal inputs to language model generations without direct supervision: for example, in the image case our reward optimization relies only on cosine similarity derived from CLIP, and thus requires no additional explicitly paired (image, caption) data. Because the parameters of the language model are left unchanged, the model maintains its capacity for zero-shot generalization. Experiments demonstrate that ESPER outperforms baselines and prior work on a variety of zero-shot tasks; these include a new benchmark we collect+release, ESP dataset, which tasks models with generating several diversely-styled captions for each image.

We introduce OpenFlamingo, a family of autoregressive vision-language models ranging from 3B to 9B parameters. OpenFlamingo is an ongoing effort to produce an open-source replication of DeepMind's Flamingo models. On seven vision-language datasets, OpenFlamingo models average between 80 - 89% of corresponding Flamingo performance. This technical report describes our models, training data, hyperparameters, and evaluation suite. We share our models and code at https://github.com/mlfoundations/open_flamingo.

We tackle the problem of aligning pre-trained large language models (LMs) with human preferences. If we view text generation as a sequential decision-making problem, reinforcement learning (RL) appears to be a natural conceptual framework. However, using RL for LM-based generation faces empirical challenges, including training instability due to the combinatorial action space, as well as a lack of open-source libraries and benchmarks customized for LM alignment. Thus, a question rises in the research community: is RL a practical paradigm for NLP? To help answer this, we first introduce an open-source modular library, RL4LMs (Reinforcement Learning for Language Models), for optimizing language generators with RL. The library consists of on-policy RL algorithms that can be used to train any encoder or encoder-decoder LM in the HuggingFace library (Wolf et al. 2020) with an arbitrary reward function. Next, we present the GRUE (General Reinforced-language Understanding Evaluation) benchmark, a set of 6 language generation tasks which are supervised not by target strings, but by reward functions which capture automated measures of human preference.GRUE is the first leaderboard-style evaluation of RL algorithms for NLP tasks. Finally, we introduce an easy-to-use, performant RL algorithm, NLPO (Natural Language Policy Optimization)} that learns to effectively reduce the combinatorial action space in language generation. We show 1) that RL techniques are generally better than supervised methods at aligning LMs to human preferences; and 2) that NLPO exhibits greater stability and performance than previous policy gradient methods (e.g., PPO (Schulman et al. 2017)), based on both automatic and human evaluations.

While Reinforcement Learning from Human Feedback (RLHF) aligns Large Language Models (LLMs) with general, aggregate human preferences, it is suboptimal for learning diverse, individual perspectives. In this work, we study Reinforcement Learning from Personalized Human Feedback (RLPHF) problem, wherein LLMs are aligned to multiple (sometimes conflicting) preferences by modeling alignment as a Multi-Objective Reinforcement Learning (MORL) problem. Compared to strong single-objective baselines, we show that we can achieve personalized alignment by decomposing preferences into multiple dimensions. These dimensions are defined based on personalizations that are declared as desirable by the user. In this work, we show that they can be efficiently trained independently in a distributed manner and combined effectively post-hoc through parameter merging. The code is available at https://github.com/joeljang/RLPHF.

Large language models (LMs) are capable of generating free-text rationales to aid question answering. However, prior work 1) suggests that useful self-rationalization is emergent only at significant scales (e.g., 175B parameter GPT-3); and 2) focuses largely on downstream performance, ignoring the semantics of the rationales themselves, e.g., are they faithful, true, and helpful for humans? In this work, we enable small-scale LMs (approx. 200x smaller than GPT-3) to generate rationales that not only improve downstream task performance, but are also more plausible, consistent, and diverse, assessed both by automatic and human evaluation. Our method, MaRio (Multi-rewArd RatIOnalization), is a multi-reward conditioned self-rationalization algorithm that optimizes multiple distinct properties like plausibility, diversity and consistency. Results on five difficult question-answering datasets StrategyQA, QuaRel, OpenBookQA, NumerSense and QASC show that not only does MaRio improve task accuracy, but it also improves the self-rationalization quality of small LMs across the aforementioned axes better than a supervised fine-tuning (SFT) baseline. Extensive human evaluations confirm that MaRio rationales are preferred vs. SFT rationales, as well as qualitative improvements in plausibility and consistency.

Language technologies that accurately model the dynamics of events must perform commonsense reasoning. Existing work evaluating commonsense reasoning focuses on making inferences about common, everyday situations. To instead investigate the ability to model unusual, unexpected, and unlikely situations, we explore the task of uncommonsense abductive reasoning. Given a piece of context with an unexpected outcome, this task requires reasoning abductively to generate a natural language explanation that makes the unexpected outcome more likely in the context. To this end, we curate and release a new English language corpus called UNcommonsense. We characterize the differences between the performance of human explainers and the best performing large language models, finding that model-enhanced human-written explanations achieve the highest quality by trading off between specificity and diversity. Finally, we experiment with several online imitation learning algorithms to train open and accessible language models on this task. When compared with the vanilla supervised fine-tuning approach, these methods consistently reduce lose rates on both common and uncommonsense abductive reasoning judged by human evaluators.

We introduce the Falcon series: 7B, 40B, and 180B parameters causal decoder-only models trained on a diverse high-quality corpora predominantly assembled from web data. The largest model, Falcon-180B, has been trained on over 3.5 trillion tokens of text--the largest openly documented pretraining run. Falcon-180B significantly outperforms models such as PaLM or Chinchilla, and improves upon concurrently developed models such as LLaMA 2 or Inflection-1. It nears the performance of PaLM-2-Large at a reduced pretraining and inference cost, making it, to our knowledge, one of the three best language models in the world along with GPT-4 and PaLM-2-Large. We report detailed evaluations, as well as a deep dive into the methods and custom tooling employed to pretrain Falcon. Notably, we report on our custom distributed training codebase, allowing us to efficiently pretrain these models on up to 4,096 A100s on cloud AWS infrastructure with limited interconnect. We release a 600B tokens extract of our web dataset, as well as the Falcon-7/40/180B models under a permissive license to foster open-science and accelerate the development of an open ecosystem of large language models.

Diffusion-based image generation models such as DALL-E 3 and Stable Diffusion-XL demonstrate remarkable capabilities in generating images with realistic and unique compositions. Yet, these models are not robust in precisely reasoning about physical and spatial configurations of objects, especially when instructed with unconventional, thereby out-of-distribution descriptions, such as "a chair with five legs". In this paper, we propose a language agent with chain-of-3D-thoughts (L3GO), an inference-time approach that can reason about part-based 3D mesh generation of unconventional objects that current data-driven diffusion models struggle with. More concretely, we use large language models as agents to compose a desired object via trial-and-error within the 3D simulation environment. To facilitate our investigation, we develop a new benchmark, Unconventionally Feasible Objects (UFO), as well as SimpleBlenv, a wrapper environment built on top of Blender where language agents can build and compose atomic building blocks via API calls. Human and automatic GPT-4V evaluations show that our approach surpasses the standard GPT-4 and other language agents (e.g., ReAct and Reflexion) for 3D mesh generation on ShapeNet. Moreover, when tested on our UFO benchmark, our approach outperforms other state-of-the-art text-to-2D image and text-to-3D models based on human evaluation.

Visual arguments, often used in advertising or social causes, rely on images to persuade viewers to do or believe something. Understanding these arguments requires selective vision: only specific visual stimuli within an image are relevant to the argument, and relevance can only be understood within the context of a broader argumentative structure. While visual arguments are readily appreciated by human audiences, we ask: are today's AI capable of similar understanding? We collect and release VisArgs, an annotated corpus designed to make explicit the (usually implicit) structures underlying visual arguments. VisArgs includes 1,611 images accompanied by three types of textual annotations: 5,112 visual premises (with region annotations), 5,574 commonsense premises, and reasoning trees connecting them to a broader argument. We propose three tasks over VisArgs to probe machine capacity for visual argument understanding: localization of premises, identification of premises, and deduction of conclusions. Experiments demonstrate that 1) machines cannot fully identify the relevant visual cues. The top-performing model, GPT-4-O, achieved an accuracy of only 78.5%, whereas humans reached 98.0%. All models showed a performance drop, with an average decrease in accuracy of 19.5%, when the comparison set was changed from objects outside the image to irrelevant objects within the image. Furthermore, 2) this limitation is the greatest factor impacting their performance in understanding visual arguments. Most models improved the most when given relevant visual premises as additional inputs, compared to other inputs, for deducing the conclusion of the visual argument.

Effective interlocutors account for the uncertain goals, beliefs, and emotions of others. But even the best human conversationalist cannot perfectly anticipate the trajectory of a dialogue. How well can language models represent inherent uncertainty in conversations? We propose FortUne Dial, an expansion of the long-standing "conversation forecasting" task: instead of just accuracy, evaluation is conducted with uncertainty-aware metrics, effectively enabling abstention on individual instances. We study two ways in which language models potentially represent outcome uncertainty (internally, using scores and directly, using tokens) and propose fine-tuning strategies to improve calibration of both representations. Experiments on eight difficult negotiation corpora demonstrate that our proposed fine-tuning strategies (a traditional supervision strategy and an off-policy reinforcement learning strategy) can calibrate smaller open-source models to compete with pre-trained models 10x their size.

We identify empirical scaling laws for the cross-entropy loss in four domains: generative image modeling, video modeling, multimodal imageleftrightarrowtext models, and mathematical problem solving. In all cases autoregressive Transformers smoothly improve in performance as model size and compute budgets increase, following a power-law plus constant scaling law. The optimal model size also depends on the compute budget through a power-law, with exponents that are nearly universal across all data domains. The cross-entropy loss has an information theoretic interpretation as S(True) + D_{KL}(True||Model), and the empirical scaling laws suggest a prediction for both the true data distribution's entropy and the KL divergence between the true and model distributions. With this interpretation, billion-parameter Transformers are nearly perfect models of the YFCC100M image distribution downsampled to an 8times 8 resolution, and we can forecast the model size needed to achieve any given reducible loss (ie D_{KL}) in nats/image for other resolutions. We find a number of additional scaling laws in specific domains: (a) we identify a scaling relation for the mutual information between captions and images in multimodal models, and show how to answer the question "Is a picture worth a thousand words?"; (b) in the case of mathematical problem solving, we identify scaling laws for model performance when extrapolating beyond the training distribution; (c) we finetune generative image models for ImageNet classification and find smooth scaling of the classification loss and error rate, even as the generative loss levels off. Taken together, these results strengthen the case that scaling laws have important implications for neural network performance, including on downstream tasks.

The ability to acknowledge the inevitable uncertainty in their knowledge and reasoning is a prerequisite for AI systems to be truly truthful and reliable. In this paper, we present a taxonomy of uncertainty specific to vision-language AI systems, distinguishing between epistemic uncertainty (arising from a lack of information) and aleatoric uncertainty (due to inherent unpredictability), and further explore finer categories within. Based on this taxonomy, we synthesize a benchmark dataset, CertainlyUncertain, featuring 178K visual question answering (VQA) samples as contrastive pairs. This is achieved by 1) inpainting images to make previously answerable questions into unanswerable ones; and 2) using image captions to prompt large language models for both answerable and unanswerable questions. Additionally, we introduce a new metric confidence-weighted accuracy, that is well correlated with both accuracy and calibration error, to address the shortcomings of existing metrics.

Instruction-tuned language models (LM) are able to respond to imperative commands, providing a more natural user interface compared to their base counterparts. In this work, we present Promptriever, the first retrieval model able to be prompted like an LM. To train Promptriever, we curate and release a new instance-level instruction training set from MS MARCO, spanning nearly 500k instances. Promptriever not only achieves strong performance on standard retrieval tasks, but also follows instructions. We observe: (1) large gains (reaching SoTA) on following detailed relevance instructions (+14.3 p-MRR / +3.1 nDCG on FollowIR), (2) significantly increased robustness to lexical choices/phrasing in the query+instruction (+12.9 Robustness@10 on InstructIR), and (3) the ability to perform hyperparameter search via prompting to reliably improve retrieval performance (+1.4 average increase on BEIR). Promptriever demonstrates that retrieval models can be controlled with prompts on a per-query basis, setting the stage for future work aligning LM prompting techniques with information retrieval.