OpenRaiser/Intern-Atlas huggingface dataset:
A Fresh Take on Stale Embeddings: Improving Dense Retriever Training with Corrector Networks
Venue: Conference ICML 2024
Year: 2024

In dense retrieval, deep encoders provide embeddings for both inputs and targets, and the softmax function is used to parameterize a distribution over a large number of candidate targets (e.g., textual passages for information retrieval). Significant challenges arise in training such encoders in the increasingly prevalent scenario of (1) a large number of targets, (2) a computationally expensive target encoder model, (3) cached target embeddings that are out-of-date due to ongoing training of target encoder parameters. This paper presents a simple and highly scalable response to these challenges by training a small parametric corrector network that adjusts stale cached target embeddings, enabling an accurate softmax approximation and thereby sampling of up-to-date high scoring "hard negatives." We theoretically investigate the generalization properties of our proposed target corrector, relating the complexity of the network, staleness of cached representations, and the amount of training data. We present experimental results on large benchmark dense retrieval datasets as well as on QA with retrieval augmented language models. Our approach matches state-of-the-art results even when no target embedding updates are made during training beyond an initial cache from the unsupervised pre-trained model, providing a 4-80x reduction in re-embedding computational cost.
Momentum for the Win: Collaborative Federated Reinforcement Learning across Heterogeneous Environments
Venue: Conference ICML 2024
Year: 2024

We explore a Federated Reinforcement Learning (FRL) problem where $N$ agents collaboratively learn a common policy without sharing their trajectory data. To date, existing FRL work has primarily focused on agents operating in the same or ``similar" environments. In contrast, our problem setup allows for arbitrarily large levels of environment heterogeneity. To obtain the optimal policy which maximizes the average performance across all potentially completely different environments, we propose two algorithms: FedSVRPG-M and FedHAPG-M. In contrast to existing results, we demonstrate that both FedSVRPG-M and FedHAPG-M, both of which leverage momentum mechanisms, can exactly converge to a stationary point of the average performance function, regardless of the magnitude of environment heterogeneity. Furthermore, by incorporating the benefits of variance-reduction techniques or Hessian approximation, both algorithms achieve state-of-the-art convergence results, characterized by a sample complexity of $\mathcal{O}\left(ε^{-\frac{3}{2}}/N\right)$. Notably, our algorithms enjoy linear convergence speedups with respect to the number of agents, highlighting the benefit of collaboration among agents in finding a common policy.
Slot Abstractors: Toward Scalable Abstract Visual Reasoning
Venue: Conference ICML 2024
Year: 2024

Abstract visual reasoning is a characteristically human ability, allowing the identification of relational patterns that are abstracted away from object features, and the systematic generalization of those patterns to unseen problems. Recent work has demonstrated strong systematic generalization in visual reasoning tasks involving multi-object inputs, through the integration of slot-based methods used for extracting object-centric representations coupled with strong inductive biases for relational abstraction. However, this approach was limited to problems containing a single rule, and was not scalable to visual reasoning problems containing a large number of objects. Other recent work proposed Abstractors, an extension of Transformers that incorporates strong relational inductive biases, thereby inheriting the Transformer's scalability and multi-head architecture, but it has yet to be demonstrated how this approach might be applied to multi-object visual inputs. Here we combine the strengths of the above approaches and propose Slot Abstractors, an approach to abstract visual reasoning that can be scaled to problems involving a large number of objects and multiple relations among them. The approach displays state-of-the-art performance across four abstract visual reasoning tasks, as well as an abstract reasoning task involving real-world images.
Learning Optimal Deterministic Policies with Stochastic Policy Gradients
Venue: Conference ICML 2024
Year: 2024

Policy gradient (PG) methods are successful approaches to deal with continuous reinforcement learning (RL) problems. They learn stochastic parametric (hyper)policies by either exploring in the space of actions or in the space of parameters. Stochastic controllers, however, are often undesirable from a practical perspective because of their lack of robustness, safety, and traceability. In common practice, stochastic (hyper)policies are learned only to deploy their deterministic version. In this paper, we make a step towards the theoretical understanding of this practice. After introducing a novel framework for modeling this scenario, we study the global convergence to the best deterministic policy, under (weak) gradient domination assumptions. Then, we illustrate how to tune the exploration level used for learning to optimize the trade-off between the sample complexity and the performance of the deployed deterministic policy. Finally, we quantitatively compare action-based and parameter-based exploration, giving a formal guise to intuitive results.
A Simple Early Exiting Framework for Accelerated Sampling in Diffusion Models
Venue: Conference ICML 2024
Year: 2024

Diffusion models have shown remarkable performance in generation problems over various domains including images, videos, text, and audio. A practical bottleneck of diffusion models is their sampling speed, due to the repeated evaluation of score estimation networks during the inference. In this work, we propose a novel framework capable of adaptively allocating compute required for the score estimation, thereby reducing the overall sampling time of diffusion models. We observe that the amount of computation required for the score estimation may vary along the time step for which the score is estimated. Based on this observation, we propose an early-exiting scheme, where we skip the subset of parameters in the score estimation network during the inference, based on a time-dependent exit schedule. Using the diffusion models for image synthesis, we show that our method could significantly improve the sampling throughput of the diffusion models without compromising image quality. Furthermore, we also demonstrate that our method seamlessly integrates with various types of solvers for faster sampling, capitalizing on their compatibility to enhance overall efficiency. The source code and our experiments are available at \url{https://github.com/taehong-moon/ee-diffusion}
Lookbehind-SAM: k steps back, 1 step forward
Venue: Conference ICML 2024
Year: 2024

Sharpness-aware minimization (SAM) methods have gained increasing popularity by formulating the problem of minimizing both loss value and loss sharpness as a minimax objective. In this work, we increase the efficiency of the maximization and minimization parts of SAM's objective to achieve a better loss-sharpness trade-off. By taking inspiration from the Lookahead optimizer, which uses multiple descent steps ahead, we propose Lookbehind, which performs multiple ascent steps behind to enhance the maximization step of SAM and find a worst-case perturbation with higher loss. Then, to mitigate the variance in the descent step arising from the gathered gradients across the multiple ascent steps, we employ linear interpolation to refine the minimization step. Lookbehind leads to a myriad of benefits across a variety of tasks. Particularly, we show increased generalization performance, greater robustness against noisy weights, as well as improved learning and less catastrophic forgetting in lifelong learning settings. Our code is available at https://github.com/chandar-lab/Lookbehind-SAM.
Using Uncertainty Quantification to Characterize and Improve Out-of-Domain Learning for PDEs
Venue: Conference ICML 2024
Year: 2024

Existing work in scientific machine learning (SciML) has shown that data-driven learning of solution operators can provide a fast approximate alternative to classical numerical partial differential equation (PDE) solvers. Of these, Neural Operators (NOs) have emerged as particularly promising. We observe that several uncertainty quantification (UQ) methods for NOs fail for test inputs that are even moderately out-of-domain (OOD), even when the model approximates the solution well for in-domain tasks. To address this limitation, we show that ensembling several NOs can identify high-error regions and provide good uncertainty estimates that are well-correlated with prediction errors. Based on this, we propose a cost-effective alternative, DiverseNO, that mimics the properties of the ensemble by encouraging diverse predictions from its multiple heads in the last feed-forward layer. We then introduce Operator-ProbConserv, a method that uses these well-calibrated UQ estimates within the ProbConserv framework to update the model. Our empirical results show that Operator-ProbConserv enhances OOD model performance for a variety of challenging PDE problems and satisfies physical constraints such as conservation laws.
Privacy Attacks in Decentralized Learning
Venue: Conference ICML 2024
Year: 2024

Decentralized Gradient Descent (D-GD) allows a set of users to perform collaborative learning without sharing their data by iteratively averaging local model updates with their neighbors in a network graph. The absence of direct communication between non-neighbor nodes might lead to the belief that users cannot infer precise information about the data of others. In this work, we demonstrate the opposite, by proposing the first attack against D-GD that enables a user (or set of users) to reconstruct the private data of other users outside their immediate neighborhood. Our approach is based on a reconstruction attack against the gossip averaging protocol, which we then extend to handle the additional challenges raised by D-GD. We validate the effectiveness of our attack on real graphs and datasets, showing that the number of users compromised by a single or a handful of attackers is often surprisingly large. We empirically investigate some of the factors that affect the performance of the attack, namely the graph topology, the number of attackers, and their position in the graph.
On the Second-Order Convergence of Biased Policy Gradient Algorithms
Venue: Conference ICML 2024
Year: 2024

Since the objective functions of reinforcement learning problems are typically highly nonconvex, it is desirable that policy gradient, the most popular algorithm, escapes saddle points and arrives at second-order stationary points. Existing results only consider vanilla policy gradient algorithms with unbiased gradient estimators, but practical implementations under the infinite-horizon discounted reward setting are biased due to finite-horizon sampling. Moreover, actor-critic methods, whose second-order convergence has not yet been established, are also biased due to the critic approximation of the value function. We provide a novel second-order analysis of biased policy gradient methods, including the vanilla gradient estimator computed from Monte-Carlo sampling of trajectories as well as the double-loop actor-critic algorithm, where in the inner loop the critic improves the approximation of the value function via TD(0) learning. Separately, we also establish the convergence of TD(0) on Markov chains irrespective of initial state distribution.
Controlled Decoding from Language Models
Venue: Conference ICML 2024
Year: 2024

KL-regularized reinforcement learning (RL) is a popular alignment framework to control the language model responses towards high reward outcomes. We pose a tokenwise RL objective and propose a modular solver for it, called controlled decoding (CD). CD exerts control through a separate prefix scorer module, which is trained to learn a value function for the reward. The prefix scorer is used at inference time to control the generation from a frozen base model, provably sampling from a solution to the RL objective. We empirically demonstrate that CD is effective as a control mechanism on popular benchmarks. We also show that prefix scorers for multiple rewards may be combined at inference time, effectively solving a multi-objective RL problem with no additional training. We show that the benefits of applying CD transfer to an unseen base model with no further tuning as well. Finally, we show that CD can be applied in a blockwise decoding fashion at inference-time, essentially bridging the gap between the popular best-of-K strategy and tokenwise control through reinforcement learning. This makes CD a promising approach for alignment of language models.
SaVeR: Optimal Data Collection Strategy for Safe Policy Evaluation in Tabular MDP
Venue: Conference ICML 2024
Year: 2024

In this paper, we study safe data collection for the purpose of policy evaluation in tabular Markov decision processes (MDPs). In policy evaluation, we are given a \textit{target} policy and asked to estimate the expected cumulative reward it will obtain. Policy evaluation requires data and we are interested in the question of what \textit{behavior} policy should collect the data for the most accurate evaluation of the target policy. While prior work has considered behavior policy selection, in this paper, we additionally consider a safety constraint on the behavior policy. Namely, we assume there exists a known default policy that incurs a particular expected cost when run and we enforce that the cumulative cost of all behavior policies ran is better than a constant factor of the cost that would be incurred had we always run the default policy. We first show that there exists a class of intractable MDPs where no safe oracle algorithm with knowledge about problem parameters can efficiently collect data and satisfy the safety constraints. We then define the tractability condition for an MDP such that a safe oracle algorithm can efficiently collect data and using that we prove the first lower bound for this setting. We then introduce an algorithm SaVeR for this problem that approximates the safe oracle algorithm and bound the finite-sample mean squared error of the algorithm while ensuring it satisfies the safety constraint. Finally, we show in simulations that SaVeR produces low MSE policy evaluation while satisfying the safety constraint.
Active Preference Learning for Large Language Models
Venue: Conference ICML 2024
Year: 2024

As large language models (LLMs) become more capable, fine-tuning techniques for aligning with human intent are increasingly important. A key consideration for aligning these models is how to most effectively use human resources, or model resources in the case where LLMs themselves are used as oracles. Reinforcement learning from Human or AI preferences (RLHF/RLAIF) is the most prominent example of such a technique, but is complex and often unstable. Direct Preference Optimization (DPO) has recently been proposed as a simpler and more stable alternative. In this work, we develop an active learning strategy for DPO to make better use of preference labels. We propose a practical acquisition function for prompt/completion pairs based on the predictive entropy of the language model and a measure of certainty of the implicit preference model optimized by DPO. We demonstrate how our approach improves both the rate of learning and final performance of fine-tuning on pairwise preference data.
Aligning Transformers with Weisfeiler-Leman
Venue: Conference ICML 2024
Year: 2024

Graph neural network architectures aligned with the $k$-dimensional Weisfeiler--Leman ($k$-WL) hierarchy offer theoretically well-understood expressive power. However, these architectures often fail to deliver state-of-the-art predictive performance on real-world graphs, limiting their practical utility. While recent works aligning graph transformer architectures with the $k$-WL hierarchy have shown promising empirical results, employing transformers for higher orders of $k$ remains challenging due to a prohibitive runtime and memory complexity of self-attention as well as impractical architectural assumptions, such as an infeasible number of attention heads. Here, we advance the alignment of transformers with the $k$-WL hierarchy, showing stronger expressivity results for each $k$, making them more feasible in practice. In addition, we develop a theoretical framework that allows the study of established positional encodings such as Laplacian PEs and SPE. We evaluate our transformers on the large-scale PCQM4Mv2 dataset, showing competitive predictive performance with the state-of-the-art and demonstrating strong downstream performance when fine-tuning them on small-scale molecular datasets. Our code is available at https://github.com/luis-mueller/wl-transformers.
Truly No-Regret Learning in Constrained MDPs
Venue: Conference ICML 2024
Year: 2024

Constrained Markov decision processes (CMDPs) are a common way to model safety constraints in reinforcement learning. State-of-the-art methods for efficiently solving CMDPs are based on primal-dual algorithms. For these algorithms, all currently known regret bounds allow for error cancellations -- one can compensate for a constraint violation in one round with a strict constraint satisfaction in another. This makes the online learning process unsafe since it only guarantees safety for the final (mixture) policy but not during learning. As Efroni et al. (2020) pointed out, it is an open question whether primal-dual algorithms can provably achieve sublinear regret if we do not allow error cancellations. In this paper, we give the first affirmative answer. We first generalize a result on last-iterate convergence of regularized primal-dual schemes to CMDPs with multiple constraints. Building upon this insight, we propose a model-based primal-dual algorithm to learn in an unknown CMDP. We prove that our algorithm achieves sublinear regret without error cancellations.
Individual Fairness in Graph Decomposition
Venue: Conference ICML 2024
Year: 2024

In this paper, we consider classic randomized low diameter decomposition procedures for planar graphs that obtain connected clusters which are cohesive in that close-by pairs of nodes are assigned to the same cluster with high probability. We require the additional aspect of individual fairness - pairs of nodes at comparable distances should be separated with comparable probability. We show that classic decomposition procedures do not satisfy this property. We present novel algorithms that achieve various trade-offs between this property and additional desiderata of connectivity of the clusters and optimality in the number of clusters. We show that our individual fairness bounds may be difficult to improve by tying the improvement to resolving a major open question in metric embeddings. We finally show the efficacy of our algorithms on real planar networks modeling congressional redistricting.
Probability Distribution of Hypervolume Improvement in Bi-objective Bayesian Optimization
Venue: Conference ICML 2024
Year: 2024

Hypervolume improvement (HVI) is commonly employed in multi-objective Bayesian optimization algorithms to define acquisition functions due to its Pareto-compliant property. Rather than focusing on specific statistical moments of HVI, this work aims to provide the exact expression of HVI's probability distribution for bi-objective problems. Considering a bi-variate Gaussian random variable resulting from Gaussian process (GP) modeling, we derive the probability distribution of its hypervolume improvement via a cell partition-based method. Our exact expression is superior in numerical accuracy and computation efficiency compared to the Monte Carlo approximation of HVI's distribution. Utilizing this distribution, we propose a novel acquisition function - $\varepsilon$-probability of hypervolume improvement ($\varepsilon$-PoHVI). Experimentally, we show that on many widely-applied bi-objective test problems, $\varepsilon$-PoHVI significantly outperforms other related acquisition functions, e.g., $\varepsilon$-PoI, and expected hypervolume improvement, when the GP model exhibits a large the prediction uncertainty.
Learning to Route Among Specialized Experts for Zero-Shot Generalization
Venue: Conference ICML 2024
Year: 2024

Recently, there has been a widespread proliferation of "expert" language models that are specialized to a specific task or domain through parameter-efficient fine-tuning. How can we recycle large collections of expert language models to improve zero-shot generalization to unseen tasks? In this work, we propose Post-Hoc Adaptive Tokenwise Gating Over an Ocean of Specialized Experts (PHATGOOSE), which learns to route among specialized modules that were produced through parameter-efficient fine-tuning. Unlike past methods that learn to route among specialized models, PHATGOOSE explores the possibility that zero-shot generalization will be improved if different experts can be adaptively chosen for each token and at each layer in the model. Crucially, our method is post-hoc - it does not require simultaneous access to the datasets used to create the specialized models and only requires a modest amount of additional compute after each expert model is trained. In experiments covering a range of specialized model collections and zero-shot generalization benchmarks, we find that PHATGOOSE outperforms past methods for post-hoc routing and, in some cases, outperforms explicit multitask training (which requires simultaneous data access). To better understand the routing strategy learned by PHATGOOSE, we perform qualitative experiments to validate that PHATGOOSE's performance stems from its ability to make adaptive per-token and per-module expert choices. We release all of our code to support future work on improving zero-shot generalization by recycling specialized experts.
BAGEL: Bootstrapping Agents by Guiding Exploration with Language
Venue: Conference ICML 2024
Year: 2024

Following natural language instructions by executing actions in digital environments (e.g. web-browsers and REST APIs) is a challenging task for language model (LM) agents. Unfortunately, LM agents often fail to generalize to new environments without human demonstrations. This work presents BAGEL, a method for bootstrapping LM agents without human supervision. BAGEL converts a seed set of randomly explored trajectories or synthetic instructions, into demonstrations, via round-trips between two noisy LM components: an LM labeler which converts a trajectory into a synthetic instruction, and a zero-shot LM agent which maps the synthetic instruction into a refined trajectory. By performing these round-trips iteratively, BAGEL quickly converts the initial distribution of trajectories towards those that are well-described by natural language. We use BAGEL demonstrations to adapt a zero shot LM agent at test time via in-context learning over retrieved demonstrations, and find improvements of over 2-13% absolute on ToolQA and MiniWob++, with up to 13x reduction in execution failures.