AIDec 21, 2024
OpenAI o1 System CardAaron Jaech, Adam Kalai, Adam Lerer et al. · openai
The o1 model series is trained with large-scale reinforcement learning to reason using chain of thought. These advanced reasoning capabilities provide new avenues for improving the safety and robustness of our models. In particular, our models can reason about our safety policies in context when responding to potentially unsafe prompts, through deliberative alignment. This leads to state-of-the-art performance on certain benchmarks for risks such as generating illicit advice, choosing stereotyped responses, and succumbing to known jailbreaks. Training models to incorporate a chain of thought before answering has the potential to unlock substantial benefits, while also increasing potential risks that stem from heightened intelligence. Our results underscore the need for building robust alignment methods, extensively stress-testing their efficacy, and maintaining meticulous risk management protocols. This report outlines the safety work carried out for the OpenAI o1 and OpenAI o1-mini models, including safety evaluations, external red teaming, and Preparedness Framework evaluations.
CLOct 25, 2024
GPT-4o System CardAaron Hurst, Adam Lerer, Adam P. Goucher et al. · openai
GPT-4o is an autoregressive omni model that accepts as input any combination of text, audio, image, and video, and generates any combination of text, audio, and image outputs. It's trained end-to-end across text, vision, and audio, meaning all inputs and outputs are processed by the same neural network. GPT-4o can respond to audio inputs in as little as 232 milliseconds, with an average of 320 milliseconds, which is similar to human response time in conversation. It matches GPT-4 Turbo performance on text in English and code, with significant improvement on text in non-English languages, while also being much faster and 50\% cheaper in the API. GPT-4o is especially better at vision and audio understanding compared to existing models. In line with our commitment to building AI safely and consistent with our voluntary commitments to the White House, we are sharing the GPT-4o System Card, which includes our Preparedness Framework evaluations. In this System Card, we provide a detailed look at GPT-4o's capabilities, limitations, and safety evaluations across multiple categories, focusing on speech-to-speech while also evaluating text and image capabilities, and measures we've implemented to ensure the model is safe and aligned. We also include third-party assessments on dangerous capabilities, as well as discussion of potential societal impacts of GPT-4o's text and vision capabilities.
CLJun 9, 2022
Beyond the Imitation Game: Quantifying and extrapolating the capabilities of language modelsAarohi Srivastava, Abhinav Rastogi, Abhishek Rao et al. · allen-ai, amazon-science
Language models demonstrate both quantitative improvement and new qualitative capabilities with increasing scale. Despite their potentially transformative impact, these new capabilities are as yet poorly characterized. In order to inform future research, prepare for disruptive new model capabilities, and ameliorate socially harmful effects, it is vital that we understand the present and near-future capabilities and limitations of language models. To address this challenge, we introduce the Beyond the Imitation Game benchmark (BIG-bench). BIG-bench currently consists of 204 tasks, contributed by 450 authors across 132 institutions. Task topics are diverse, drawing problems from linguistics, childhood development, math, common-sense reasoning, biology, physics, social bias, software development, and beyond. BIG-bench focuses on tasks that are believed to be beyond the capabilities of current language models. We evaluate the behavior of OpenAI's GPT models, Google-internal dense transformer architectures, and Switch-style sparse transformers on BIG-bench, across model sizes spanning millions to hundreds of billions of parameters. In addition, a team of human expert raters performed all tasks in order to provide a strong baseline. Findings include: model performance and calibration both improve with scale, but are poor in absolute terms (and when compared with rater performance); performance is remarkably similar across model classes, though with benefits from sparsity; tasks that improve gradually and predictably commonly involve a large knowledge or memorization component, whereas tasks that exhibit "breakthrough" behavior at a critical scale often involve multiple steps or components, or brittle metrics; social bias typically increases with scale in settings with ambiguous context, but this can be improved with prompting.
CLMar 15, 2023
GPT-4 Technical ReportJosh Achiam, Steven Adler, Sandhini Agarwal et al. · berkeley, deepmind
We report the development of GPT-4, a large-scale, multimodal model which can accept image and text inputs and produce text outputs. While less capable than humans in many real-world scenarios, GPT-4 exhibits human-level performance on various professional and academic benchmarks, including passing a simulated bar exam with a score around the top 10% of test takers. GPT-4 is a Transformer-based model pre-trained to predict the next token in a document. The post-training alignment process results in improved performance on measures of factuality and adherence to desired behavior. A core component of this project was developing infrastructure and optimization methods that behave predictably across a wide range of scales. This allowed us to accurately predict some aspects of GPT-4's performance based on models trained with no more than 1/1,000th the compute of GPT-4.
LGDec 4, 2025Code
LeMat-GenBench: A Unified Evaluation Framework for Crystal Generative ModelsSiddharth Betala, Samuel P. Gleason, Ali Ramlaoui et al.
Generative machine learning (ML) models hold great promise for accelerating materials discovery through the inverse design of inorganic crystals, enabling an unprecedented exploration of chemical space. Yet, the lack of standardized evaluation frameworks makes it challenging to evaluate, compare, and further develop these ML models meaningfully. In this work, we introduce LeMat-GenBench, a unified benchmark for generative models of crystalline materials, supported by a set of evaluation metrics designed to better inform model development and downstream applications. We release both an open-source evaluation suite and a public leaderboard on Hugging Face, and benchmark 12 recent generative models. Results reveal that an increase in stability leads to a decrease in novelty and diversity on average, with no model excelling across all dimensions. Altogether, LeMat-GenBench establishes a reproducible and extensible foundation for fair model comparison and aims to guide the development of more reliable, discovery-oriented generative models for crystalline materials.
LGSep 6, 2023
Using Multiple Vector Channels Improves E(n)-Equivariant Graph Neural NetworksDaniel Levy, Sékou-Oumar Kaba, Carmelo Gonzales et al.
We present a natural extension to E(n)-equivariant graph neural networks that uses multiple equivariant vectors per node. We formulate the extension and show that it improves performance across different physical systems benchmark tasks, with minimal differences in runtime or number of parameters. The proposed multichannel EGNN outperforms the standard singlechannel EGNN on N-body charged particle dynamics, molecular property predictions, and predicting the trajectories of solar system bodies. Given the additional benefits and minimal additional cost of multi-channel EGNN, we suggest that this extension may be of practical use to researchers working in machine learning for the physical sciences
LGNov 3, 2025
Energy Loss Functions for Physical SystemsSékou-Oumar Kaba, Kusha Sareen, Daniel Levy et al.
Effectively leveraging prior knowledge of a system's physics is crucial for applications of machine learning to scientific domains. Previous approaches mostly focused on incorporating physical insights at the architectural level. In this paper, we propose a framework to leverage physical information directly into the loss function for prediction and generative modeling tasks on systems like molecules and spins. We derive energy loss functions assuming that each data sample is in thermal equilibrium with respect to an approximate energy landscape. By using the reverse KL divergence with a Boltzmann distribution around the data, we obtain the loss as an energy difference between the data and the model predictions. This perspective also recasts traditional objectives like MSE as energy-based, but with a physically meaningless energy. In contrast, our formulation yields physically grounded loss functions with gradients that better align with valid configurations, while being architecture-agnostic and computationally efficient. The energy loss functions also inherently respect physical symmetries. We demonstrate our approach on molecular generation and spin ground-state prediction and report significant improvements over baselines.
LGFeb 7, 2024Code
E(3)-Equivariant Mesh Neural NetworksThuan Trang, Nhat Khang Ngo, Daniel Levy et al.
Triangular meshes are widely used to represent three-dimensional objects. As a result, many recent works have address the need for geometric deep learning on 3D mesh. However, we observe that the complexities in many of these architectures does not translate to practical performance, and simple deep models for geometric graphs are competitive in practice. Motivated by this observation, we minimally extend the update equations of E(n)-Equivariant Graph Neural Networks (EGNNs) (Satorras et al., 2021) to incorporate mesh face information, and further improve it to account for long-range interactions through hierarchy. The resulting architecture, Equivariant Mesh Neural Network (EMNN), outperforms other, more complicated equivariant methods on mesh tasks, with a fast run-time and no expensive pre-processing. Our implementation is available at https://github.com/HySonLab/EquiMesh
MLNov 25, 2017Code
Generalizing Hamiltonian Monte Carlo with Neural NetworksDaniel Levy, Matthew D. Hoffman, Jascha Sohl-Dickstein
We present a general-purpose method to train Markov chain Monte Carlo kernels, parameterized by deep neural networks, that converge and mix quickly to their target distribution. Our method generalizes Hamiltonian Monte Carlo and is trained to maximize expected squared jumped distance, a proxy for mixing speed. We demonstrate large empirical gains on a collection of simple but challenging distributions, for instance achieving a 106x improvement in effective sample size in one case, and mixing when standard HMC makes no measurable progress in a second. Finally, we show quantitative and qualitative gains on a real-world task: latent-variable generative modeling. We release an open source TensorFlow implementation of the algorithm.
MTRL-SCIFeb 5, 2025
SymmCD: Symmetry-Preserving Crystal Generation with Diffusion ModelsDaniel Levy, Siba Smarak Panigrahi, Sékou-Oumar Kaba et al. · deepmind
Generating novel crystalline materials has the potential to lead to advancements in fields such as electronics, energy storage, and catalysis. The defining characteristic of crystals is their symmetry, which plays a central role in determining their physical properties. However, existing crystal generation methods either fail to generate materials that display the symmetries of real-world crystals, or simply replicate the symmetry information from examples in a database. To address this limitation, we propose SymmCD, a novel diffusion-based generative model that explicitly incorporates crystallographic symmetry into the generative process. We decompose crystals into two components and learn their joint distribution through diffusion: 1) the asymmetric unit, the smallest subset of the crystal which can generate the whole crystal through symmetry transformations, and; 2) the symmetry transformations needed to be applied to each atom in the asymmetric unit. We also use a novel and interpretable representation for these transformations, enabling generalization across different crystallographic symmetry groups. We showcase the competitive performance of SymmCD on a subset of the Materials Project, obtaining diverse and valid crystals with realistic symmetries and predicted properties.
LGJan 14, 2025
Symmetry-Aware Generative Modeling through Learned CanonicalizationKusha Sareen, Daniel Levy, Arnab Kumar Mondal et al.
Generative modeling of symmetric densities has a range of applications in AI for science, from drug discovery to physics simulations. The existing generative modeling paradigm for invariant densities combines an invariant prior with an equivariant generative process. However, we observe that this technique is not necessary and has several drawbacks resulting from the limitations of equivariant networks. Instead, we propose to model a learned slice of the density so that only one representative element per orbit is learned. To accomplish this, we learn a group-equivariant canonicalization network that maps training samples to a canonical pose and train a non-equivariant generative model over these canonicalized samples. We implement this idea in the context of diffusion models. Our preliminary experimental results on molecular modeling are promising, demonstrating improved sample quality and faster inference time.
LGOct 25, 2025
Quantitative Bounds for Sorting-Based Permutation-Invariant EmbeddingsNadav Dym, Matthias Wellershoff, Efstratios Tsoukanis et al.
We study the sorting-based embedding $β_{\mathbf A} : \mathbb R^{n \times d} \to \mathbb R^{n \times D}$, $\mathbf X \mapsto {\downarrow}(\mathbf X \mathbf A)$, where $\downarrow$ denotes column wise sorting of matrices. Such embeddings arise in graph deep learning where outputs should be invariant to permutations of graph nodes. Previous work showed that for large enough $D$ and appropriate $\mathbf A$, the mapping $β_{\mathbf A}$ is injective, and moreover satisfies a bi-Lipschitz condition. However, two gaps remain: firstly, the optimal size $D$ required for injectivity is not yet known, and secondly, no estimates of the bi-Lipschitz constants of the mapping are known. In this paper, we make substantial progress in addressing both of these gaps. Regarding the first gap, we improve upon the best known upper bounds for the embedding dimension $D$ necessary for injectivity, and also provide a lower bound on the minimal injectivity dimension. Regarding the second gap, we construct matrices $\mathbf A$, so that the bi-Lipschitz distortion of $β_{\mathbf A} $ depends quadratically on $n$, and is completely independent of $d$. We also show that the distortion of $β_{\mathbf A}$ is necessarily at least in $Ω(\sqrt{n})$. Finally, we provide similar results for variants of $β_{\mathbf A}$ obtained by applying linear projections to reduce the output dimension of $β_{\mathbf A}$.
CLSep 9, 2021
Distributionally Robust Multilingual Machine TranslationChunting Zhou, Daniel Levy, Xian Li et al.
Multilingual neural machine translation (MNMT) learns to translate multiple language pairs with a single model, potentially improving both the accuracy and the memory-efficiency of deployed models. However, the heavy data imbalance between languages hinders the model from performing uniformly across language pairs. In this paper, we propose a new learning objective for MNMT based on distributionally robust optimization, which minimizes the worst-case expected loss over the set of language pairs. We further show how to practically optimize this objective for large translation corpora using an iterated best response scheme, which is both effective and incurs negligible additional computational cost compared to standard empirical risk minimization. We perform extensive experiments on three sets of languages from two datasets and show that our method consistently outperforms strong baseline methods in terms of average and per-language performance under both many-to-one and one-to-many translation settings.
LGAug 5, 2021
Adapting to Function Difficulty and Growth Conditions in Private OptimizationHilal Asi, Daniel Levy, John Duchi
We develop algorithms for private stochastic convex optimization that adapt to the hardness of the specific function we wish to optimize. While previous work provide worst-case bounds for arbitrary convex functions, it is often the case that the function at hand belongs to a smaller class that enjoys faster rates. Concretely, we show that for functions exhibiting $κ$-growth around the optimum, i.e., $f(x) \ge f(x^*) + λκ^{-1} \|x-x^*\|_2^κ$ for $κ> 1$, our algorithms improve upon the standard ${\sqrt{d}}/{n\varepsilon}$ privacy rate to the faster $({\sqrt{d}}/{n\varepsilon})^{\tfracκ{κ- 1}}$. Crucially, they achieve these rates without knowledge of the growth constant $κ$ of the function. Our algorithms build upon the inverse sensitivity mechanism, which adapts to instance difficulty (Asi & Duchi, 2020), and recent localization techniques in private optimization (Feldman et al., 2020). We complement our algorithms with matching lower bounds for these function classes and demonstrate that our adaptive algorithm is \emph{simultaneously} (minimax) optimal over all $κ\ge 1+c$ whenever $c = Θ(1)$.
LGFeb 23, 2021
Learning with User-Level PrivacyDaniel Levy, Ziteng Sun, Kareem Amin et al.
We propose and analyze algorithms to solve a range of learning tasks under user-level differential privacy constraints. Rather than guaranteeing only the privacy of individual samples, user-level DP protects a user's entire contribution ($m \ge 1$ samples), providing more stringent but more realistic protection against information leaks. We show that for high-dimensional mean estimation, empirical risk minimization with smooth losses, stochastic convex optimization, and learning hypothesis classes with finite metric entropy, the privacy cost decreases as $O(1/\sqrt{m})$ as users provide more samples. In contrast, when increasing the number of users $n$, the privacy cost decreases at a faster $O(1/n)$ rate. We complement these results with lower bounds showing the minimax optimality of our algorithms for mean estimation and stochastic convex optimization. Our algorithms rely on novel techniques for private mean estimation in arbitrary dimension with error scaling as the concentration radius $τ$ of the distribution rather than the entire range.
OCOct 12, 2020
Large-Scale Methods for Distributionally Robust OptimizationDaniel Levy, Yair Carmon, John C. Duchi et al.
We propose and analyze algorithms for distributionally robust optimization of convex losses with conditional value at risk (CVaR) and $χ^2$ divergence uncertainty sets. We prove that our algorithms require a number of gradient evaluations independent of training set size and number of parameters, making them suitable for large-scale applications. For $χ^2$ uncertainty sets these are the first such guarantees in the literature, and for CVaR our guarantees scale linearly in the uncertainty level rather than quadratically as in previous work. We also provide lower bounds proving the worst-case optimality of our algorithms for CVaR and a penalized version of the $χ^2$ problem. Our primary technical contributions are novel bounds on the bias of batch robust risk estimation and the variance of a multilevel Monte Carlo gradient estimator due to [Blanchet & Glynn, 2015]. Experiments on MNIST and ImageNet confirm the theoretical scaling of our algorithms, which are 9--36 times more efficient than full-batch methods.
OCSep 23, 2019
Geometry, Computation, and Optimality in Stochastic OptimizationChen Cheng, Daniel Levy, John C. Duchi
We study computational and statistical consequences of problem geometry in stochastic and online optimization. By focusing on constraint set and gradient geometry, we characterize the problem families for which stochastic- and adaptive-gradient methods are (minimax) optimal and, conversely, when nonlinear updates -- such as those mirror descent employs -- are necessary for optimal convergence. When the constraint set is quadratically convex, diagonally pre-conditioned stochastic gradient methods are minimax optimal. We provide quantitative converses showing that the ``distance'' of the underlying constraints from quadratic convexity determines the sub-optimality of subgradient methods. These results apply, for example, to any $\ell_p$-ball for $p < 2$, and the computation/accuracy tradeoffs they demonstrate exhibit a striking analogy to those in Gaussian sequence models.
CRNov 25, 2018
Faster CryptoNets: Leveraging Sparsity for Real-World Encrypted InferenceEdward Chou, Josh Beal, Daniel Levy et al.
Homomorphic encryption enables arbitrary computation over data while it remains encrypted. This privacy-preserving feature is attractive for machine learning, but requires significant computational time due to the large overhead of the encryption scheme. We present Faster CryptoNets, a method for efficient encrypted inference using neural networks. We develop a pruning and quantization approach that leverages sparse representations in the underlying cryptosystem to accelerate inference. We derive an optimal approximation for popular activation functions that achieves maximally-sparse encodings and minimizes approximation error. We also show how privacy-safe training techniques can be used to reduce the overhead of encrypted inference for real-world datasets by leveraging transfer learning and differential privacy. Our experiments show that our method maintains competitive accuracy and achieves a significant speedup over previous methods. This work increases the viability of deep learning systems that use homomorphic encryption to protect user privacy.
AINov 21, 2017
Deterministic Policy Optimization by Combining Pathwise and Score Function Estimators for Discrete Action SpacesDaniel Levy, Stefano Ermon
Policy optimization methods have shown great promise in solving complex reinforcement and imitation learning tasks. While model-free methods are broadly applicable, they often require many samples to optimize complex policies. Model-based methods greatly improve sample-efficiency but at the cost of poor generalization, requiring a carefully handcrafted model of the system dynamics for each task. Recently, hybrid methods have been successful in trading off applicability for improved sample-complexity. However, these have been limited to continuous action spaces. In this work, we present a new hybrid method based on an approximation of the dynamics as an expectation over the next state under the current policy. This relaxation allows us to derive a novel hybrid policy gradient estimator, combining score function and pathwise derivative estimators, that is applicable to discrete action spaces. We show significant gains in sample complexity, ranging between $1.7$ and $25\times$, when learning parameterized policies on Cart Pole, Acrobot, Mountain Car and Hand Mass. Our method is applicable to both discrete and continuous action spaces, when competing pathwise methods are limited to the latter.
LGJul 11, 2017
Fast Amortized Inference and Learning in Log-linear Models with Randomly Perturbed Nearest Neighbor SearchStephen Mussmann, Daniel Levy, Stefano Ermon
Inference in log-linear models scales linearly in the size of output space in the worst-case. This is often a bottleneck in natural language processing and computer vision tasks when the output space is feasibly enumerable but very large. We propose a method to perform inference in log-linear models with sublinear amortized cost. Our idea hinges on using Gumbel random variable perturbations and a pre-computed Maximum Inner Product Search data structure to access the most-likely elements in sublinear amortized time. Our method yields provable runtime and accuracy guarantees. Further, we present empirical experiments on ImageNet and Word Embeddings showing significant speedups for sampling, inference, and learning in log-linear models.