OpenRaiser/Intern-Atlas huggingface dataset:
Light and Optimal Schrödinger Bridge Matching
Venue: Conference ICML 2024
Year: 2024

Schrödinger Bridges (SB) have recently gained the attention of the ML community as a promising extension of classic diffusion models which is also interconnected to the Entropic Optimal Transport (EOT). Recent solvers for SB exploit the pervasive bridge matching procedures. Such procedures aim to recover a stochastic process transporting the mass between distributions given only a transport plan between them. In particular, given the EOT plan, these procedures can be adapted to solve SB. This fact is heavily exploited by recent works giving rise to matching-based SB solvers. The cornerstone here is recovering the EOT plan: recent works either use heuristical approximations (e.g., the minibatch OT) or establish iterative matching procedures which by the design accumulate the error during the training. We address these limitations and propose a novel procedure to learn SB which we call the \textbf{optimal Schrödinger bridge matching}. It exploits the optimal parameterization of the diffusion process and provably recovers the SB process \textbf{(a)} with a single bridge matching step and \textbf{(b)} with arbitrary transport plan as the input. Furthermore, we show that the optimal bridge matching objective coincides with the recently discovered energy-based modeling (EBM) objectives to learn EOT/SB. Inspired by this observation, we develop a light solver (which we call LightSB-M) to implement optimal matching in practice using the Gaussian mixture parameterization of the adjusted Schrödinger potential. We experimentally showcase the performance of our solver in a range of practical tasks. The code for our solver can be found at https://github.com/SKholkin/LightSB-Matching.
Optimally Improving Cooperative Learning in a Social Setting
Venue: Conference ICML 2024
Year: 2024

We consider a cooperative learning scenario where a collection of networked agents with individually owned classifiers dynamically update their predictions, for the same classification task, through communication or observations of each other's predictions. Clearly if highly influential vertices use erroneous classifiers, there will be a negative effect on the accuracy of all the agents in the network. We ask the following question: how can we optimally fix the prediction of a few classifiers so as maximize the overall accuracy in the entire network. To this end we consider an aggregate and an egalitarian objective function. We show a polynomial time algorithm for optimizing the aggregate objective function, and show that optimizing the egalitarian objective function is NP-hard. Furthermore, we develop approximation algorithms for the egalitarian improvement. The performance of all of our algorithms are guaranteed by mathematical analysis and backed by experiments on synthetic and real data.
Vectorized Conditional Neural Fields: A Framework for Solving Time-dependent Parametric Partial Differential Equations
Venue: Conference ICML 2024
Year: 2024

Transformer models are increasingly used for solving Partial Differential Equations (PDEs). Several adaptations have been proposed, all of which suffer from the typical problems of Transformers, such as quadratic memory and time complexity. Furthermore, all prevalent architectures for PDE solving lack at least one of several desirable properties of an ideal surrogate model, such as (i) generalization to PDE parameters not seen during training, (ii) spatial and temporal zero-shot super-resolution, (iii) continuous temporal extrapolation, (iv) support for 1D, 2D, and 3D PDEs, and (v) efficient inference for longer temporal rollouts. To address these limitations, we propose Vectorized Conditional Neural Fields (VCNeFs), which represent the solution of time-dependent PDEs as neural fields. Contrary to prior methods, however, VCNeFs compute, for a set of multiple spatio-temporal query points, their solutions in parallel and model their dependencies through attention mechanisms. Moreover, VCNeF can condition the neural field on both the initial conditions and the parameters of the PDEs. An extensive set of experiments demonstrates that VCNeFs are competitive with and often outperform existing ML-based surrogate models.
Isometric Representation Learning for Disentangled Latent Space of Diffusion Models
Venue: Conference ICML 2024
Year: 2024

The latent space of diffusion model mostly still remains unexplored, despite its great success and potential in the field of generative modeling. In fact, the latent space of existing diffusion models are entangled, with a distorted mapping from its latent space to image space. To tackle this problem, we present Isometric Diffusion, equipping a diffusion model with a geometric regularizer to guide the model to learn a geometrically sound latent space of the training data manifold. This approach allows diffusion models to learn a more disentangled latent space, which enables smoother interpolation, more accurate inversion, and more precise control over attributes directly in the latent space. Our extensive experiments consisting of image interpolations, image inversions, and linear editing show the effectiveness of our method.
Pursuing Overall Welfare in Federated Learning through Sequential Decision Making
Venue: Conference ICML 2024
Year: 2024

In traditional federated learning, a single global model cannot perform equally well for all clients. Therefore, the need to achieve the client-level fairness in federated system has been emphasized, which can be realized by modifying the static aggregation scheme for updating the global model to an adaptive one, in response to the local signals of the participating clients. Our work reveals that existing fairness-aware aggregation strategies can be unified into an online convex optimization framework, in other words, a central server's sequential decision making process. To enhance the decision making capability, we propose simple and intuitive improvements for suboptimal designs within existing methods, presenting AAggFF. Considering practical requirements, we further subdivide our method tailored for the cross-device and the cross-silo settings, respectively. Theoretical analyses guarantee sublinear regret upper bounds for both settings: $\mathcal{O}(\sqrt{T \log{K}})$ for the cross-device setting, and $\mathcal{O}(K \log{T})$ for the cross-silo setting, with $K$ clients and $T$ federation rounds. Extensive experiments demonstrate that the federated system equipped with AAggFF achieves better degree of client-level fairness than existing methods in both practical settings. Code is available at https://github.com/vaseline555/AAggFF
Covert Malicious Finetuning: Challenges in Safeguarding LLM Adaptation
Venue: Conference ICML 2024
Year: 2024

Black-box finetuning is an emerging interface for adapting state-of-the-art language models to user needs. However, such access may also let malicious actors undermine model safety. To demonstrate the challenge of defending finetuning interfaces, we introduce covert malicious finetuning, a method to compromise model safety via finetuning while evading detection. Our method constructs a malicious dataset where every individual datapoint appears innocuous, but finetuning on the dataset teaches the model to respond to encoded harmful requests with encoded harmful responses. Applied to GPT-4, our method produces a finetuned model that acts on harmful instructions 99% of the time and avoids detection by defense mechanisms such as dataset inspection, safety evaluations, and input/output classifiers. Our findings question whether black-box finetuning access can be secured against sophisticated adversaries.
Dr. Strategy: Model-Based Generalist Agents with Strategic Dreaming
Venue: Conference ICML 2024
Year: 2024

Model-based reinforcement learning (MBRL) has been a primary approach to ameliorating the sample efficiency issue as well as to make a generalist agent. However, there has not been much effort toward enhancing the strategy of dreaming itself. Therefore, it is a question whether and how an agent can "dream better" in a more structured and strategic way. In this paper, inspired by the observation from cognitive science suggesting that humans use a spatial divide-and-conquer strategy in planning, we propose a new MBRL agent, called Dr. Strategy, which is equipped with a novel Dreaming Strategy. The proposed agent realizes a version of divide-and-conquer-like strategy in dreaming. This is achieved by learning a set of latent landmarks and then utilizing these to learn a landmark-conditioned highway policy. With the highway policy, the agent can first learn in the dream to move to a landmark, and from there it tackles the exploration and achievement task in a more focused way. In experiments, we show that the proposed model outperforms prior pixel-based MBRL methods in various visually complex and partially observable navigation tasks.
Model Assessment and Selection under Temporal Distribution Shift
Venue: Conference ICML 2024
Year: 2024

We investigate model assessment and selection in a changing environment, by synthesizing datasets from both the current time period and historical epochs. To tackle unknown and potentially arbitrary temporal distribution shift, we develop an adaptive rolling window approach to estimate the generalization error of a given model. This strategy also facilitates the comparison between any two candidate models by estimating the difference of their generalization errors. We further integrate pairwise comparisons into a single-elimination tournament, achieving near-optimal model selection from a collection of candidates. Theoretical analyses and numerical experiments demonstrate the adaptivity of our proposed methods to the non-stationarity in data.
Prototypical Transformer As Unified Motion Learners
Venue: Conference ICML 2024
Year: 2024

In this work, we introduce the Prototypical Transformer (ProtoFormer), a general and unified framework that approaches various motion tasks from a prototype perspective. ProtoFormer seamlessly integrates prototype learning with Transformer by thoughtfully considering motion dynamics, introducing two innovative designs. First, Cross-Attention Prototyping discovers prototypes based on signature motion patterns, providing transparency in understanding motion scenes. Second, Latent Synchronization guides feature representation learning via prototypes, effectively mitigating the problem of motion uncertainty. Empirical results demonstrate that our approach achieves competitive performance on popular motion tasks such as optical flow and scene depth. Furthermore, it exhibits generality across various downstream tasks, including object tracking and video stabilization.
Improving Group Robustness on Spurious Correlation Requires Preciser Group Inference
Venue: Conference ICML 2024
Year: 2024

Standard empirical risk minimization (ERM) models may prioritize learning spurious correlations between spurious features and true labels, leading to poor accuracy on groups where these correlations do not hold. Mitigating this issue often requires expensive spurious attribute (group) labels or relies on trained ERM models to infer group labels when group information is unavailable. However, the significant performance gap in worst-group accuracy between using pseudo group labels and using oracle group labels inspires us to consider further improving group robustness through preciser group inference. Therefore, we propose GIC, a novel method that accurately infers group labels, resulting in improved worst-group performance. GIC trains a spurious attribute classifier based on two key properties of spurious correlations: (1) high correlation between spurious attributes and true labels, and (2) variability in this correlation between datasets with different group distributions. Empirical studies on multiple datasets demonstrate the effectiveness of GIC in inferring group labels, and combining GIC with various downstream invariant learning methods improves worst-group accuracy, showcasing its powerful flexibility. Additionally, through analyzing the misclassifications in GIC, we identify an interesting phenomenon called semantic consistency, which may contribute to better decoupling the association between spurious attributes and labels, thereby mitigating spurious correlation. The code for GIC is available at https://github.com/yujinhanml/GIC.
Spotting LLMs With Binoculars: Zero-Shot Detection of Machine-Generated Text
Venue: Conference ICML 2024
Year: 2024

Detecting text generated by modern large language models is thought to be hard, as both LLMs and humans can exhibit a wide range of complex behaviors. However, we find that a score based on contrasting two closely related language models is highly accurate at separating human-generated and machine-generated text. Based on this mechanism, we propose a novel LLM detector that only requires simple calculations using a pair of pre-trained LLMs. The method, called Binoculars, achieves state-of-the-art accuracy without any training data. It is capable of spotting machine text from a range of modern LLMs without any model-specific modifications. We comprehensively evaluate Binoculars on a number of text sources and in varied situations. Over a wide range of document types, Binoculars detects over 90% of generated samples from ChatGPT (and other LLMs) at a false positive rate of 0.01%, despite not being trained on any ChatGPT data.
Flora: Low-Rank Adapters Are Secretly Gradient Compressors
Venue: Conference ICML 2024
Year: 2024

Despite large neural networks demonstrating remarkable abilities to complete different tasks, they require excessive memory usage to store the optimization states for training. To alleviate this, the low-rank adaptation (LoRA) is proposed to reduce the optimization states by training fewer parameters. However, LoRA restricts overall weight update matrices to be low-rank, limiting the model performance. In this work, we investigate the dynamics of LoRA and identify that it can be approximated by a random projection. Based on this observation, we propose Flora, which is able to achieve high-rank updates by resampling the projection matrices while enjoying the sublinear space complexity of optimization states. We conduct experiments across different tasks and model architectures to verify the effectiveness of our approach.
Data-efficient Large Vision Models through Sequential Autoregression
Venue: Conference ICML 2024
Year: 2024

Training general-purpose vision models on purely sequential visual data, eschewing linguistic inputs, has heralded a new frontier in visual understanding. These models are intended to not only comprehend but also seamlessly transit to out-of-domain tasks. However, current endeavors are hamstrung by an over-reliance on colossal models, exemplified by models with upwards of 3B parameters, and the necessity for an extensive corpus of visual data, often comprising a staggering 400B tokens. In this paper, we delve into the development of an efficient, autoregression-based vision model, innovatively architected to operate on a limited dataset. We meticulously demonstrate how this model achieves proficiency in a spectrum of visual tasks spanning both high-level and low-level semantic understanding during the testing phase. Our empirical evaluations underscore the model's agility in adapting to various tasks, heralding a significant reduction in the parameter footprint, and a marked decrease in training data requirements, thereby paving the way for more sustainable and accessible advancements in the field of generalist vision models. The code is available at https://github.com/ggjy/DeLVM.
DPOT: Auto-Regressive Denoising Operator Transformer for Large-Scale PDE Pre-Training
Venue: Conference ICML 2024
Year: 2024

Pre-training has been investigated to improve the efficiency and performance of training neural operators in data-scarce settings. However, it is largely in its infancy due to the inherent complexity and diversity, such as long trajectories, multiple scales and varying dimensions of partial differential equations (PDEs) data. In this paper, we present a new auto-regressive denoising pre-training strategy, which allows for more stable and efficient pre-training on PDE data and generalizes to various downstream tasks. Moreover, by designing a flexible and scalable model architecture based on Fourier attention, we can easily scale up the model for large-scale pre-training. We train our PDE foundation model with up to 0.5B parameters on 10+ PDE datasets with more than 100k trajectories. Extensive experiments show that we achieve SOTA on these benchmarks and validate the strong generalizability of our model to significantly enhance performance on diverse downstream PDE tasks like 3D data. Code is available at \url{https://github.com/thu-ml/DPOT}.
Convergence Guarantees for the DeepWalk Embedding on Block Models
Venue: Conference ICML 2024
Year: 2024

Graph embeddings have emerged as a powerful tool for understanding the structure of graphs. Unlike classical spectral methods, recent methods such as DeepWalk, Node2Vec, etc. are based on solving nonlinear optimization problems on the graph, using local information obtained by performing random walks. These techniques have empirically been shown to produce ''better'' embeddings than their classical counterparts. However, due to their reliance on solving a nonconvex optimization problem, obtaining theoretical guarantees on the properties of the solution has remained a challenge, even for simple classes of graphs. In this work, we show convergence properties for the DeepWalk algorithm on graphs obtained from the Stochastic Block Model (SBM). Despite being simplistic, the SBM has proved to be a classic model for analyzing the behavior of algorithms on large graphs. Our results mirror the existing ones for spectral embeddings on SBMs, showing that even in the case of one-dimensional embeddings, the output of the DeepWalk algorithm provably recovers the cluster structure with high probability.
GLoRe: When, Where, and How to Improve LLM Reasoning via Global and Local Refinements
Venue: Conference ICML 2024
Year: 2024

State-of-the-art language models can exhibit impressive reasoning refinement capabilities on math, science or coding tasks. However, recent work demonstrates that even the best models struggle to identify \textit{when and where to refine} without access to external feedback. Outcome-based Reward Models (\textbf{ORMs}), trained to predict correctness of the final answer indicating when to refine, offer one convenient solution for deciding when to refine. Process Based Reward Models (\textbf{PRMs}), trained to predict correctness of intermediate steps, can then be used to indicate where to refine. But they are expensive to train, requiring extensive human annotations. In this paper, we propose Stepwise ORMs (\textbf{SORMs}) which are trained, only on synthetic data, to approximate the expected future reward of the optimal policy or $V^{\star}$. More specifically, SORMs are trained to predict the correctness of the final answer when sampling the current policy many times (rather than only once as in the case of ORMs). Our experiments show that SORMs can more accurately detect incorrect reasoning steps compared to ORMs, thus improving downstream accuracy when doing refinements. We then train \textit{global} refinement models, which take only the question and a draft solution as input and predict a corrected solution, and \textit{local} refinement models which also take as input a critique indicating the location of the first reasoning error. We generate training data for both models synthetically by reusing data used to train the SORM. We find combining global and local refinements, using the ORM as a reranker, significantly outperforms either one individually, as well as a best of three sample baseline. With this strategy we can improve the accuracy of a LLaMA-2 13B model (already fine-tuned with RL) on GSM8K from 53\% to 65\% when greedily sampled.
Understanding MLP-Mixer as a wide and sparse MLP
Venue: Conference ICML 2024
Year: 2024

Multi-layer perceptron (MLP) is a fundamental component of deep learning, and recent MLP-based architectures, especially the MLP-Mixer, have achieved significant empirical success. Nevertheless, our understanding of why and how the MLP-Mixer outperforms conventional MLPs remains largely unexplored. In this work, we reveal that sparseness is a key mechanism underlying the MLP-Mixers. First, the Mixers have an effective expression as a wider MLP with Kronecker-product weights, clarifying that the Mixers efficiently embody several sparseness properties explored in deep learning. In the case of linear layers, the effective expression elucidates an implicit sparse regularization caused by the model architecture and a hidden relation to Monarch matrices, which is also known as another form of sparse parameterization. Next, for general cases, we empirically demonstrate quantitative similarities between the Mixer and the unstructured sparse-weight MLPs. Following a guiding principle proposed by Golubeva, Neyshabur and Gur-Ari (2021), which fixes the number of connections and increases the width and sparsity, the Mixers can demonstrate improved performance.
MAGNOLIA: Matching Algorithms via GNNs for Online Value-to-go Approximation
Venue: Conference ICML 2024
Year: 2024

Online Bayesian bipartite matching is a central problem in digital marketplaces and exchanges, including advertising, crowdsourcing, ridesharing, and kidney exchange. We introduce a graph neural network (GNN) approach that emulates the problem's combinatorially-complex optimal online algorithm, which selects actions (e.g., which nodes to match) by computing each action's value-to-go (VTG) -- the expected weight of the final matching if the algorithm takes that action, then acts optimally in the future. We train a GNN to estimate VTG and show empirically that this GNN returns high-weight matchings across a variety of tasks. Moreover, we identify a common family of graph distributions in spatial crowdsourcing applications, such as rideshare, under which VTG can be efficiently approximated by aggregating information within local neighborhoods in the graphs. This structure matches the local behavior of GNNs, providing theoretical justification for our approach.
LoRA+: Efficient Low Rank Adaptation of Large Models
Venue: Conference ICML 2024
Year: 2024

In this paper, we show that Low Rank Adaptation (LoRA) as originally introduced in Hu et al. (2021) leads to suboptimal finetuning of models with large width (embedding dimension). This is due to the fact that adapter matrices A and B in LoRA are updated with the same learning rate. Using scaling arguments for large width networks, we demonstrate that using the same learning rate for A and B does not allow efficient feature learning. We then show that this suboptimality of LoRA can be corrected simply by setting different learning rates for the LoRA adapter matrices A and B with a well-chosen ratio. We call this proposed algorithm LoRA$+$. In our extensive experiments, LoRA$+$ improves performance (1-2 $\%$ improvements) and finetuning speed (up to $\sim$ 2X SpeedUp), at the same computational cost as LoRA.