OpenRaiser/Intern-Atlas huggingface dataset:
Constrained Exploration via Reflected Replica Exchange Stochastic Gradient Langevin Dynamics
Venue: Conference ICML 2024
Year: 2024

Replica exchange stochastic gradient Langevin dynamics (reSGLD) is an effective sampler for non-convex learning in large-scale datasets. However, the simulation may encounter stagnation issues when the high-temperature chain delves too deeply into the distribution tails. To tackle this issue, we propose reflected reSGLD (r2SGLD): an algorithm tailored for constrained non-convex exploration by utilizing reflection steps within a bounded domain. Theoretically, we observe that reducing the diameter of the domain enhances mixing rates, exhibiting a $\textit{quadratic}$ behavior. Empirically, we test its performance through extensive experiments, including identifying dynamical systems with physical constraints, simulations of constrained multi-modal distributions, and image classification tasks. The theoretical and empirical findings highlight the crucial role of constrained exploration in improving the simulation efficiency.
GPT-4V(ision) is a Generalist Web Agent, if Grounded
Venue: Conference ICML 2024
Year: 2024

The recent development on large multimodal models (LMMs), especially GPT-4V(ision) and Gemini, has been quickly expanding the capability boundaries of multimodal models beyond traditional tasks like image captioning and visual question answering. In this work, we explore the potential of LMMs like GPT-4V as a generalist web agent that can follow natural language instructions to complete tasks on any given website. We propose SEEACT, a generalist web agent that harnesses the power of LMMs for integrated visual understanding and acting on the web. We evaluate on the recent MIND2WEB benchmark. In addition to standard offline evaluation on cached websites, we enable a new online evaluation setting by developing a tool that allows running web agents on live websites. We show that GPT-4V presents a great potential for web agents -- it can successfully complete 51.1 of the tasks on live websites if we manually ground its textual plans into actions on the websites. This substantially outperforms text-only LLMs like GPT-4 or smaller models (FLAN-T5 and BLIP-2) specifically fine-tuned for web agents. However, grounding still remains a major challenge. Existing LMM grounding strategies like set-of-mark prompting turns out to be not effective for web agents, and the best grounding strategy we develop in this paper leverages both the HTML structure and visuals. Yet, there is still a substantial gap with oracle grounding, leaving ample room for further improvement. All code, data, and evaluation tools are available at https://github.com/OSU-NLP-Group/SeeAct.
Characteristic Guidance: Non-linear Correction for Diffusion Model at Large Guidance Scale
Venue: Conference ICML 2024
Year: 2024

Popular guidance for denoising diffusion probabilistic model (DDPM) linearly combines distinct conditional models together to provide enhanced control over samples. However, this approach overlooks nonlinear effects that become significant when guidance scale is large. To address this issue, we propose characteristic guidance, a guidance method that provides first-principle non-linear correction for classifier-free guidance. Such correction forces the guided DDPMs to respect the Fokker-Planck (FP) equation of diffusion process, in a way that is training-free and compatible with existing sampling methods. Experiments show that characteristic guidance enhances semantic characteristics of prompts and mitigate irregularities in image generation, proving effective in diverse applications ranging from simulating magnet phase transitions to latent space sampling.
Online Matrix Completion: A Collaborative Approach with Hott Items
Venue: Conference ICML 2024
Year: 2024

We investigate the low rank matrix completion problem in an online setting with ${M}$ users, ${N}$ items, ${T}$ rounds, and an unknown rank-$r$ reward matrix ${R}\in \mathbb{R}^{{M}\times {N}}$. This problem has been well-studied in the literature and has several applications in practice. In each round, we recommend ${S}$ carefully chosen distinct items to every user and observe noisy rewards. In the regime where ${M},{N} >> {T}$, we propose two distinct computationally efficient algorithms for recommending items to users and analyze them under the benign \emph{hott items} assumption.1) First, for ${S}=1$, under additional incoherence/smoothness assumptions on ${R}$, we propose the phased algorithm \textsc{PhasedClusterElim}. Our algorithm obtains a near-optimal per-user regret of $\tilde{O}({N}{M}^{-1}(Δ^{-1}+Δ_{hott}^{-2}))$ where $Δ_{hott},Δ$ are problem-dependent gap parameters with $Δ_{hott} >> Δ$ almost always. 2) Second, we consider a simplified setting with ${S}=r$ where we make significantly milder assumptions on ${R}$. Here, we introduce another phased algorithm, \textsc{DeterminantElim}, to derive a regret guarantee of $\widetilde{O}({N}{M}^{-1/r}Δ_{det}^{-1}))$ where $Δ_{det}$ is another problem-dependent gap. Both algorithms crucially use collaboration among users to jointly eliminate sub-optimal items for groups of users successively in phases, but with distinctive and novel approaches.
Premier-TACO is a Few-Shot Policy Learner: Pretraining Multitask Representation via Temporal Action-Driven Contrastive Loss
Venue: Conference ICML 2024
Year: 2024

We present Premier-TACO, a multitask feature representation learning approach designed to improve few-shot policy learning efficiency in sequential decision-making tasks. Premier-TACO leverages a subset of multitask offline datasets for pretraining a general feature representation, which captures critical environmental dynamics and is fine-tuned using minimal expert demonstrations. It advances the temporal action contrastive learning (TACO) objective, known for state-of-the-art results in visual control tasks, by incorporating a novel negative example sampling strategy. This strategy is crucial in significantly boosting TACO's computational efficiency, making large-scale multitask offline pretraining feasible. Our extensive empirical evaluation in a diverse set of continuous control benchmarks including Deepmind Control Suite, MetaWorld, and LIBERO demonstrate Premier-TACO's effectiveness in pretraining visual representations, significantly enhancing few-shot imitation learning of novel tasks. Our code, pretraining data, as well as pretrained model checkpoints will be released at https://github.com/PremierTACO/premier-taco. Our project webpage is at https://premiertaco.github.io.
Conformal Predictions under Markovian Data
Venue: Conference ICML 2024
Year: 2024

We study the split Conformal Prediction method when applied to Markovian data. We quantify the gap in terms of coverage induced by the correlations in the data (compared to exchangeable data). This gap strongly depends on the mixing properties of the underlying Markov chain, and we prove that it typically scales as $\sqrt{t_\mathrm{mix}\ln(n)/n}$ (where $t_\mathrm{mix}$ is the mixing time of the chain). We also derive upper bounds on the impact of the correlations on the size of the prediction set. Finally we present $K$-split CP, a method that consists in thinning the calibration dataset and that adapts to the mixing properties of the chain. Its coverage gap is reduced to $t_\mathrm{mix}/(n\ln(n))$ without really affecting the size of the prediction set. We finally test our algorithms on synthetic and real-world datasets.
Detecting and Identifying Selection Structure in Sequential Data
Venue: Conference ICML 2024
Year: 2024

We argue that the selective inclusion of data points based on latent objectives is common in practical situations, such as music sequences. Since this selection process often distorts statistical analysis, previous work primarily views it as a bias to be corrected and proposes various methods to mitigate its effect. However, while controlling this bias is crucial, selection also offers an opportunity to provide a deeper insight into the hidden generation process, as it is a fundamental mechanism underlying what we observe. In particular, overlooking selection in sequential data can lead to an incomplete or overcomplicated inductive bias in modeling, such as assuming a universal autoregressive structure for all dependencies. Therefore, rather than merely viewing it as a bias, we explore the causal structure of selection in sequential data to delve deeper into the complete causal process. Specifically, we show that selection structure is identifiable without any parametric assumptions or interventional experiments. Moreover, even in cases where selection variables coexist with latent confounders, we still establish the nonparametric identifiability under appropriate structural conditions. Meanwhile, we also propose a provably correct algorithm to detect and identify selection structures as well as other types of dependencies. The framework has been validated empirically on both synthetic data and real-world music.
On Prompt-Driven Safeguarding for Large Language Models
Venue: Conference ICML 2024
Year: 2024

Prepending model inputs with safety prompts is a common practice for safeguarding large language models (LLMs) against queries with harmful intents. However, the underlying working mechanisms of safety prompts have not been unraveled yet, restricting the possibility of automatically optimizing them to improve LLM safety. In this work, we investigate how LLMs' behavior (i.e., complying with or refusing user queries) is affected by safety prompts from the perspective of model representation. We find that in the representation space, the input queries are typically moved by safety prompts in a "higher-refusal" direction, in which models become more prone to refusing to provide assistance, even when the queries are harmless. On the other hand, LLMs are naturally capable of distinguishing harmful and harmless queries without safety prompts. Inspired by these findings, we propose a method for safety prompt optimization, namely DRO (Directed Representation Optimization). Treating a safety prompt as continuous, trainable embeddings, DRO learns to move the queries' representations along or opposite the refusal direction, depending on their harmfulness. Experiments with eight LLMs on out-of-domain and jailbreak benchmarks demonstrate that DRO remarkably improves the safeguarding performance of human-crafted safety prompts, without compromising the models' general performance.
DPN: Decoupling Partition and Navigation for Neural Solvers of Min-max Vehicle Routing Problems
Venue: Conference ICML 2024
Year: 2024

The min-max vehicle routing problem (min-max VRP) traverses all given customers by assigning several routes and aims to minimize the length of the longest route. Recently, reinforcement learning (RL)-based sequential planning methods have exhibited advantages in solving efficiency and optimality. However, these methods fail to exploit the problem-specific properties in learning representations, resulting in less effective features for decoding optimal routes. This paper considers the sequential planning process of min-max VRPs as two coupled optimization tasks: customer partition for different routes and customer navigation in each route (i.e., partition and navigation). To effectively process min-max VRP instances, we present a novel attention-based Partition-and-Navigation encoder (P&N Encoder) that learns distinct embeddings for partition and navigation. Furthermore, we utilize an inherent symmetry in decoding routes and develop an effective agent-permutation-symmetric (APS) loss function. Experimental results demonstrate that the proposed Decoupling-Partition-Navigation (DPN) method significantly surpasses existing learning-based methods in both single-depot and multi-depot min-max VRPs. Our code is available at
Self-Infilling Code Generation
Venue: Conference ICML 2024
Year: 2024

This work introduces self-infilling code generation, a general framework that incorporates infilling operations into auto-regressive decoding. Our approach capitalizes on the observation that recent infilling-capable code language models can self-infill: whereas infilling operations aim to fill in the middle based on a predefined prefix and suffix, self-infilling sequentially generates both such surrounding context and the infilled content. We utilize this capability to introduce novel interruption and looping mechanisms in conventional decoding, evolving it into a non-monotonic process. Interruptions allow for postponing the generation of specific code until a definitive suffix is established, enhancing control over the output. Meanwhile, the looping mechanism, which leverages the complementary nature of self-infilling and left-to-right decoding, can iteratively update and synchronize each piece of generation cyclically. Extensive experiments are conducted to demonstrate that our proposed decoding process is effective in enhancing both regularity and quality across several code generation benchmarks.
Stabilizing Policy Gradients for Stochastic Differential Equations via Consistency with Perturbation Process
Venue: Conference ICML 2024
Year: 2024

Considering generating samples with high rewards, we focus on optimizing deep neural networks parameterized stochastic differential equations (SDEs), the advanced generative models with high expressiveness, with policy gradient, the leading algorithm in reinforcement learning. Nevertheless, when applying policy gradients to SDEs, since the policy gradient is estimated on a finite set of trajectories, it can be ill-defined, and the policy behavior in data-scarce regions may be uncontrolled. This challenge compromises the stability of policy gradients and negatively impacts sample complexity. To address these issues, we propose constraining the SDE to be consistent with its associated perturbation process. Since the perturbation process covers the entire space and is easy to sample, we can mitigate the aforementioned problems. Our framework offers a general approach allowing for a versatile selection of policy gradient methods to effectively and efficiently train SDEs. We evaluate our algorithm on the task of structure-based drug design and optimize the binding affinity of generated ligand molecules. Our method achieves the best Vina score -9.07 on the CrossDocked2020 dataset.
Differentially Private Worst-group Risk Minimization
Venue: Conference ICML 2024
Year: 2024

We initiate a systematic study of worst-group risk minimization under $(ε, δ)$-differential privacy (DP). The goal is to privately find a model that approximately minimizes the maximal risk across $p$ sub-populations (groups) with different distributions, where each group distribution is accessed via a sample oracle. We first present a new algorithm that achieves excess worst-group population risk of $\tilde{O}(\frac{p\sqrt{d}}{Kε} + \sqrt{\frac{p}{K}})$, where $K$ is the total number of samples drawn from all groups and $d$ is the problem dimension. Our rate is nearly optimal when each distribution is observed via a fixed-size dataset of size $K/p$. Our result is based on a new stability-based analysis for the generalization error. In particular, we show that $Δ$-uniform argument stability implies $\tilde{O}(Δ+ \frac{1}{\sqrt{n}})$ generalization error w.r.t. the worst-group risk, where $n$ is the number of samples drawn from each sample oracle. Next, we propose an algorithmic framework for worst-group population risk minimization using any DP online convex optimization algorithm as a subroutine. Hence, we give another excess risk bound of $\tilde{O}\left( \sqrt{\frac{d^{1/2}}{εK}} +\sqrt{\frac{p}{Kε^2}} \right)$. Assuming the typical setting of $ε=Θ(1)$, this bound is more favorable than our first bound in a certain range of $p$ as a function of $K$ and $d$. Finally, we study differentially private worst-group empirical risk minimization in the offline setting, where each group distribution is observed by a fixed-size dataset. We present a new algorithm with nearly optimal excess risk of $\tilde{O}(\frac{p\sqrt{d}}{Kε})$.
Jacobian Regularizer-based Neural Granger Causality
Venue: Conference ICML 2024
Year: 2024

With the advancement of neural networks, diverse methods for neural Granger causality have emerged, which demonstrate proficiency in handling complex data, and nonlinear relationships. However, the existing framework of neural Granger causality has several limitations. It requires the construction of separate predictive models for each target variable, and the relationship depends on the sparsity on the weights of the first layer, resulting in challenges in effectively modeling complex relationships between variables as well as unsatisfied estimation accuracy of Granger causality. Moreover, most of them cannot grasp full-time Granger causality. To address these drawbacks, we propose a Jacobian Regularizer-based Neural Granger Causality (JRNGC) approach, a straightforward yet highly effective method for learning multivariate summary Granger causality and full-time Granger causality by constructing a single model for all target variables. Specifically, our method eliminates the sparsity constraints of weights by leveraging an input-output Jacobian matrix regularizer, which can be subsequently represented as the weighted causal matrix in the post-hoc analysis. Extensive experiments show that our proposed approach achieves competitive performance with the state-of-the-art methods for learning summary Granger causality and full-time Granger causality while maintaining lower model complexity and high scalability.
MD tree: a model-diagnostic tree grown on loss landscape
Venue: Conference ICML 2024
Year: 2024

This paper considers "model diagnosis", which we formulate as a classification problem. Given a pre-trained neural network (NN), the goal is to predict the source of failure from a set of failure modes (such as a wrong hyperparameter, inadequate model size, and insufficient data) without knowing the training configuration of the pre-trained NN. The conventional diagnosis approach uses training and validation errors to determine whether the model is underfitting or overfitting. However, we show that rich information about NN performance is encoded in the optimization loss landscape, which provides more actionable insights than validation-based measurements. Therefore, we propose a diagnosis method called MD tree based on loss landscape metrics and experimentally demonstrate its advantage over classical validation-based approaches. We verify the effectiveness of MD tree in multiple practical scenarios: (1) use several models trained on one dataset to diagnose a model trained on another dataset, essentially a few-shot dataset transfer problem; (2) use small models (or models trained with small data) to diagnose big models (or models trained with big data), essentially a scale transfer problem. In a dataset transfer task, MD tree achieves an accuracy of 87.7%, outperforming validation-based approaches by 14.88%. Our code is available at https://github.com/YefanZhou/ModelDiagnosis.
RoboDreamer: Learning Compositional World Models for Robot Imagination
Venue: Conference ICML 2024
Year: 2024

Text-to-video models have demonstrated substantial potential in robotic decision-making, enabling the imagination of realistic plans of future actions as well as accurate environment simulation. However, one major issue in such models is generalization -- models are limited to synthesizing videos subject to language instructions similar to those seen at training time. This is heavily limiting in decision-making, where we seek a powerful world model to synthesize plans of unseen combinations of objects and actions in order to solve previously unseen tasks in new environments. To resolve this issue, we introduce RoboDreamer, an innovative approach for learning a compositional world model by factorizing the video generation. We leverage the natural compositionality of language to parse instructions into a set of lower-level primitives, which we condition a set of models on to generate videos. We illustrate how this factorization naturally enables compositional generalization, by allowing us to formulate a new natural language instruction as a combination of previously seen components. We further show how such a factorization enables us to add additional multimodal goals, allowing us to specify a video we wish to generate given both natural language instructions and a goal image. Our approach can successfully synthesize video plans on unseen goals in the RT-X, enables successful robot execution in simulation, and substantially outperforms monolithic baseline approaches to video generation.
Finite-Time Convergence and Sample Complexity of Actor-Critic Multi-Objective Reinforcement Learning
Venue: Conference ICML 2024
Year: 2024

Reinforcement learning with multiple, potentially conflicting objectives is pervasive in real-world applications, while this problem remains theoretically under-explored. This paper tackles the multi-objective reinforcement learning (MORL) problem and introduces an innovative actor-critic algorithm named MOAC which finds a policy by iteratively making trade-offs among conflicting reward signals. Notably, we provide the first analysis of finite-time Pareto-stationary convergence and corresponding sample complexity in both discounted and average reward settings. Our approach has two salient features: (a) MOAC mitigates the cumulative estimation bias resulting from finding an optimal common gradient descent direction out of stochastic samples. This enables provable convergence rate and sample complexity guarantees independent of the number of objectives; (b) With proper momentum coefficient, MOAC initializes the weights of individual policy gradients using samples from the environment, instead of manual initialization. This enhances the practicality and robustness of our algorithm. Finally, experiments conducted on a real-world dataset validate the effectiveness of our proposed method.
Pedestrian Attribute Recognition as Label-balanced Multi-label Learning
Venue: Conference ICML 2024
Year: 2024

Rooting in the scarcity of most attributes, realistic pedestrian attribute datasets exhibit unduly skewed data distribution, from which two types of model failures are delivered: (1) label imbalance: model predictions lean greatly towards the side of majority labels; (2) semantics imbalance: model is easily overfitted on the under-represented attributes due to their insufficient semantic diversity. To render perfect label balancing, we propose a novel framework that successfully decouples label-balanced data re-sampling from the curse of attributes co-occurrence, i.e., we equalize the sampling prior of an attribute while not biasing that of the co-occurred others. To diversify the attributes semantics and mitigate the feature noise, we propose a Bayesian feature augmentation method to introduce true in-distribution novelty. Handling both imbalances jointly, our work achieves best accuracy on various popular benchmarks, and importantly, with minimal computational budget.
Bounding the Excess Risk for Linear Models Trained on Marginal-Preserving, Differentially-Private, Synthetic Data
Venue: Conference ICML 2024
Year: 2024

The growing use of machine learning (ML) has raised concerns that an ML model may reveal private information about an individual who has contributed to the training dataset. To prevent leakage of sensitive data, we consider using differentially-private (DP), synthetic training data instead of real training data to train an ML model. A key desirable property of synthetic data is its ability to preserve the low-order marginals of the original distribution. Our main contribution comprises novel upper and lower bounds on the excess empirical risk of linear models trained on such synthetic data, for continuous and Lipschitz loss functions. We perform extensive experimentation alongside our theoretical results.