The ability to predict upcoming events has been hypothesized to comprise a key aspect of natural and machine cognition. This is supported by trends in deep reinforcement learning (RL), where self-supervised auxiliary objectives such as prediction are widely used to support representation learning and improve task performance. Here, we study the effects predictive auxiliary objectives have on representation learning across different modules of an RL system and how these mimic representational changes observed in the brain. We find that predictive objectives improve and stabilize learning particularly in resource-limited architectures, and we identify settings where longer predictive horizons better support representational transfer. Furthermore, we find that representational changes in this RL system bear a striking resemblance to changes in neural activity observed in the brain across various experiments. Specifically, we draw a connection between the auxiliary predictive model of the RL system and hippocampus, an area thought to learn a predictive model to support memory-guided behavior. We also connect the encoder network and the value learning network of the RL system to visual cortex and striatum in the brain, respectively. This work demonstrates how representation learning in deep RL systems can provide an interpretable framework for modeling multi-region interactions in the brain. The deep RL perspective taken here also suggests an additional role of the hippocampus in the brain-- that of an auxiliary learning system that benefits representation learning in other regions.
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Distribution shifts over time are common in real-world machine-learning applications. This scenario is formulated as Evolving Domain Generalization (EDG), where models aim to generalize well to unseen target domains in a time-varying system by learning and leveraging the underlying evolving pattern of the distribution shifts across domains. However, existing methods encounter challenges due to the limited number of timestamps (every domain corresponds to a timestamp) in EDG datasets, leading to difficulties in capturing evolving dynamics and risking overfitting to the sparse timestamps, which hampers their generalization and adaptability to new tasks. To address this limitation, we propose a novel approach SDE-EDG that collects the Infinitely Fined-Grid Evolving Trajectory (IFGET) of the data distribution with continuous-interpolated samples to bridge temporal gaps (intervals between two successive timestamps). Furthermore, by leveraging the inherent capacity of Stochastic Differential Equations (SDEs) to capture continuous trajectories, we propose their use to align SDE-modeled trajectories with IFGET across domains, thus enabling the capture of evolving distribution trends. We evaluate our approach on several benchmark datasets and demonstrate that it can achieve superior performance compared to existing state-of-the-art methods.
Unsupervised pre-training strategies have proven to be highly effective in natural language processing and computer vision. Likewise, unsupervised reinforcement learning (RL) holds the promise of discovering a variety of potentially useful behaviors that can accelerate the learning of a wide array of downstream tasks. Previous unsupervised RL approaches have mainly focused on pure exploration and mutual information skill learning. However, despite the previous attempts, making unsupervised RL truly scalable still remains a major open challenge: pure exploration approaches might struggle in complex environments with large state spaces, where covering every possible transition is infeasible, and mutual information skill learning approaches might completely fail to explore the environment due to the lack of incentives. To make unsupervised RL scalable to complex, high-dimensional environments, we propose a novel unsupervised RL objective, which we call Metric-Aware Abstraction (METRA). Our main idea is, instead of directly covering the entire state space, to only cover a compact latent space $\mathcal{Z}$ that is metrically connected to the state space $\mathcal{S}$ by temporal distances. By learning to move in every direction in the latent space, METRA obtains a tractable set of diverse behaviors that approximately cover the state space, being scalable to high-dimensional environments. Through our experiments in five locomotion and manipulation environments, we demonstrate that METRA can discover a variety of useful behaviors even in complex, pixel-based environments, being the first unsupervised RL method that discovers diverse locomotion behaviors in pixel-based Quadruped and Humanoid. Our code and videos are available at https://seohong.me/projects/metra/
We propose the first loss function for approximate Nash equilibria of normal-form games that is amenable to unbiased Monte Carlo estimation. This construction allows us to deploy standard non-convex stochastic optimization techniques for approximating Nash equilibria, resulting in novel algorithms with provable guarantees. We complement our theoretical analysis with experiments demonstrating that stochastic gradient descent can outperform previous state-of-the-art approaches.
Teams that have trained large Transformer-based models have reported training instabilities at large scale that did not appear when training with the same hyperparameters at smaller scales. Although the causes of such instabilities are of scientific interest, the amount of resources required to reproduce them has made investigation difficult. In this work, we seek ways to reproduce and study training instability at smaller scales. First, we focus on two sources of training instability described in previous work: the growth of logits in attention layers (Dehghani et al., 2023) and divergence of the output logits from the log probabilities (Chowdhery et al., 2022). By measuring the relationship between learning rate and loss across scales, we show that these instabilities also appear in small models when training at high learning rates, and that mitigations previously employed at large scales are equally effective in this regime. This prompts us to investigate the extent to which other known optimizer and model interventions influence the sensitivity of the final loss to changes in the learning rate. To this end, we study methods such as warm-up, weight decay, and the MuParam (Yang et al., 2022), and combine techniques to train small models that achieve similar losses across orders of magnitude of learning rate variation. Finally, to conclude our exploration we study two cases where instabilities can be predicted before they emerge by examining the scaling behavior of model characteristics such as activation and gradient norms.
Miscellaneous Aspects of Machine Learning · Unsupervised and Semi-supervised Learning
Topological data analysis (TDA) is a powerful technique for extracting complex and valuable shape-related summaries of high-dimensional data. However, the computational demands of classical algorithms for computing TDA are exorbitant, and quickly become impractical for high-order characteristics. Quantum computers offer the potential of achieving significant speedup for certain computational problems. Indeed, TDA has been purported to be one such problem, yet, quantum computing algorithms proposed for the problem, such as the original Quantum TDA (QTDA) formulation by Lloyd, Garnerone and Zanardi, require fault-tolerance qualifications that are currently unavailable. In this study, we present NISQ-TDA, a fully implemented end-to-end quantum machine learning algorithm needing only a short circuit-depth, that is applicable to high-dimensional classical data, and with provable asymptotic speedup for certain classes of problems. The algorithm neither suffers from the data-loading problem nor does it need to store the input data on the quantum computer explicitly. The algorithm was successfully executed on quantum computing devices, as well as on noisy quantum simulators, applied to small datasets. Preliminary empirical results suggest that the algorithm is robust to noise.
In order to understand the in-context learning phenomenon, recent works have adopted a stylized experimental framework and demonstrated that Transformers can match the performance of gradient-based learning algorithms for various classes of real-valued functions. However, the limitations of Transformers in implementing learning algorithms, and their ability to learn other forms of algorithms are not well understood. Additionally, the degree to which these capabilities are confined to attention-based models is unclear. Furthermore, it remains to be seen whether the insights derived from these stylized settings can be extrapolated to pretrained Large Language Models (LLMs). In this work, we take a step towards answering these questions by demonstrating the following: (a) On a test-bed with a variety of Boolean function classes, we find that Transformers can nearly match the optimal learning algorithm for 'simpler' tasks, while their performance deteriorates on more 'complex' tasks. Additionally, we find that certain attention-free models perform (almost) identically to Transformers on a range of tasks. (b) When provided a *teaching sequence*, i.e. a set of examples that uniquely identifies a function in a class, we show that Transformers learn more sample-efficiently. Interestingly, our results show that Transformers can learn to implement *two distinct* algorithms to solve a *single* task, and can adaptively select the more sample-efficient algorithm depending on the sequence of in-context examples. (c) Lastly, we show that extant LLMs, e.g. LLaMA-2, GPT-4, can compete with nearest-neighbor baselines on prediction tasks that are guaranteed to not be in their training set.
Gene regulatory network inference (GRNI) is a challenging problem, particularly owing to the presence of zeros in single-cell RNA sequencing data: some are biological zeros representing no gene expression, while some others are technical zeros arising from the sequencing procedure (aka dropouts), which may bias GRNI by distorting the joint distribution of the measured gene expressions. Existing approaches typically handle dropout error via imputation, which may introduce spurious relations as the true joint distribution is generally unidentifiable. To tackle this issue, we introduce a causal graphical model to characterize the dropout mechanism, namely, Causal Dropout Model. We provide a simple yet effective theoretical result: interestingly, the conditional independence (CI) relations in the data with dropouts, after deleting the samples with zero values (regardless if technical or not) for the conditioned variables, are asymptotically identical to the CI relations in the original data without dropouts. This particular test-wise deletion procedure, in which we perform CI tests on the samples without zeros for the conditioned variables, can be seamlessly integrated with existing structure learning approaches including constraint-based and greedy score-based methods, thus giving rise to a principled framework for GRNI in the presence of dropouts. We further show that the causal dropout model can be validated from data, and many existing statistical models to handle dropouts fit into our model as specific parametric instances. Empirical evaluation on synthetic, curated, and real-world experimental transcriptomic data comprehensively demonstrate the efficacy of our method.
We introduce Würstchen, a novel architecture for text-to-image synthesis that combines competitive performance with unprecedented cost-effectiveness for large-scale text-to-image diffusion models.A key contribution of our work is to develop a latent diffusion technique in which we learn a detailed but extremely compact semantic image representation used to guide the diffusion process. This highly compressed representation of an image provides much more detailed guidance compared to latent representations of language and this significantly reduces the computational requirements to achieve state-of-the-art results. Our approach also improves the quality of text-conditioned image generation based on our user preference study.The training requirements of our approach consists of 24,602 A100-GPU hours - compared to Stable Diffusion 2.1's 200,000 GPU hours. Our approach also requires less training data to achieve these results. Furthermore, our compact latent representations allows us to perform inference over twice as fast, slashing the usual costs and carbon footprint of a state-of-the-art (SOTA) diffusion model significantly, without compromising the end performance. In a broader comparison against SOTA models our approach is substantially more efficient and compares favourably in terms of image quality.We believe that this work motivates more emphasis on the prioritization of both performance and computational accessibility.
In this work, we define a diffusion-based generative model capable of both music generation and source separation by learning the score of the joint probability density of sources sharing a context. Alongside the classic total inference tasks (i.e., generating a mixture, separating the sources), we also introduce and experiment on the partial generation task of source imputation, where we generate a subset of the sources given the others (e.g., play a piano track that goes well with the drums). Additionally, we introduce a novel inference method for the separation task based on Dirac likelihood functions. We train our model on Slakh2100, a standard dataset for musical source separation, provide qualitative results in the generation settings, and showcase competitive quantitative results in the source separation setting. Our method is the first example of a single model that can handle both generation and separation tasks, thus representing a step toward general audio models.
Despite their remarkable capabilities, large language models (LLMs) often produce responses containing factual inaccuracies due to their sole reliance on the parametric knowledge they encapsulate. Retrieval-Augmented Generation (RAG), an ad hoc approach that augments LMs with retrieval of relevant knowledge, decreases such issues. However, indiscriminately retrieving and incorporating a fixed number of retrieved passages, regardless of whether retrieval is necessary, or passages are relevant, diminishes LM versatility or can lead to unhelpful response generation. We introduce a new framework called **Self-Reflective Retrieval-Augmented Generation (Self-RAG)** that enhances an LM's quality and factuality through retrieval and self-reflection. Our framework trains a single arbitrary LM that adaptively retrieves passages on-demand, and generates and reflects on retrieved passages and its generations using special tokens, called {\it reflection} tokens. Generating reflection tokens makes the LM controllable during the inference phase, enabling it to tailor its behavior to diverse task requirements. Experiments show that Self-RAG (7B and 13B parameters) significantly outperforms state-of-the-art LLMs and retrieval-augmented models on a diverse set of tasks. Specifically, Self-RAG outperforms ChatGPT and retrieval-augmented Llama2-chat on Open-domain QA, reasoning, and fact verification tasks, and it shows significant gains in improving factuality and citation accuracy for long-form generations relative to these models. Our code and trained models are available at https://selfrag.github.io/
Optimizing large language models (LLMs) for downstream use cases often involves the customization of pre-trained LLMs through further fine-tuning. Meta's open-source release of Llama models and OpenAI's APIs for fine-tuning GPT-3.5 Turbo on customized datasets accelerate this trend. But, what are the safety costs associated with such customized fine-tuning? While existing safety alignment techniques restrict harmful behaviors of LLMs at inference time, they do not cover safety risks when fine-tuning privileges are extended to end-users. Our red teaming studies find that the safety alignment of LLMs can be compromised by fine-tuning with only a few adversarially designed training examples. For instance, we jailbreak GPT-3.5 Turbo's safety guardrails by fine-tuning it on only 10 such examples at a cost of less than $0.20 via OpenAI's APIs, making the model responsive to nearly any harmful instructions. Disconcertingly, our research also reveals that, even without malicious intent, simply fine-tuning with benign and commonly used datasets can also inadvertently degrade the safety alignment of LLMs, though to a lesser extent. These findings suggest that fine-tuning aligned LLMs introduces new safety risks that current safety infrastructures fall short of addressing --- even if a model's initial safety alignment is impeccable, how can it be maintained after customized fine-tuning? We outline and critically analyze potential mitigations and advocate for further research efforts toward reinforcing safety protocols for the customized fine-tuning of aligned LLMs. (This paper contains red-teaming data and model-generated content that can be offensive in nature.)
The rapid adoption of text-to-image diffusion models in society underscores an urgent need to address their biases. Without interventions, these biases could propagate a skewed worldview and restrict opportunities for minority groups. In this work, we frame fairness as a distributional alignment problem. Our solution consists of two main technical contributions: (1) a distributional alignment loss that steers specific characteristics of the generated images towards a user-defined target distribution, and (2) adjusted direct finetuning of diffusion model's sampling process (adjusted DFT), which leverages an adjusted gradient to directly optimize losses defined on the generated images. Empirically, our method markedly reduces gender, racial, and their intersectional biases for occupational prompts. Gender bias is significantly reduced even when finetuning just five soft tokens. Crucially, our method supports diverse perspectives of fairness beyond absolute equality, which is demonstrated by controlling age to a 75% young and 25% old distribution while simultaneously debiasing gender and race. Finally, our method is scalable: it can debias multiple concepts at once by simply including these prompts in the finetuning data. We share code and various fair diffusion model adaptors at https://sail-sg.github.io/finetune-fair-diffusion/.
Social Aspects · Accountability, Transparency and Interpretability
Image attribution algorithms aim to identify important regions that are highly relevant to model decisions. Although existing attribution solutions can effectively assign importance to target elements, they still face the following challenges: 1) existing attribution methods generate inaccurate small regions thus misleading the direction of correct attribution, and 2) the model cannot produce good attribution results for samples with wrong predictions. To address the above challenges, this paper re-models the above image attribution problem as a submodular subset selection problem, aiming to enhance model interpretability using fewer regions. To address the lack of attention to local regions, we construct a novel submodular function to discover more accurate small interpretation regions. To enhance the attribution effect for all samples, we also impose four different constraints on the selection of sub-regions, i.e., confidence, effectiveness, consistency, and collaboration scores, to assess the importance of various subsets. Moreover, our theoretical analysis substantiates that the proposed function is in fact submodular. Extensive experiments show that the proposed method outperforms SOTA methods on two face datasets (Celeb-A and VGG-Face2) and one fine-grained dataset (CUB-200-2011). For correctly predicted samples, the proposed method improves the Deletion and Insertion scores with an average of 4.9\% and 2.5\% gain relative to HSIC-Attribution. For incorrectly predicted samples, our method achieves gains of 81.0\% and 18.4\% compared to the HSIC-Attribution algorithm in the average highest confidence and Insertion score respectively. The code is released at https://github.com/RuoyuChen10/SMDL-Attribution.
Applications · Robotics
Model-free control strategies such as reinforcement learning have shown the ability to learn control strategies without requiring an accurate model or simulator of the world. While this is appealing due to the lack of modeling requirements, such methods can be sample inefficient, making them impractical in many real-world domains. On the other hand, model-based control techniques leveraging accurate simulators can circumvent these challenges and use a large amount of cheap simulation data to learn controllers that can effectively transfer to the real world. The challenge with such model-based techniques is the requirement for an extremely accurate simulation, requiring both the specification of appropriate simulation assets and physical parameters. This requires considerable human effort to design for every environment being considered. In this work, we propose a learning system that can leverage a small amount of real-world data to autonomously refine a simulation model and then plan an accurate control strategy that can be deployed in the real world. Our approach critically relies on utilizing an initial (possibly inaccurate) simulator to design effective exploration policies that, when deployed in the real world, collect high-quality data. We demonstrate the efficacy of this paradigm in identifying articulation, mass, and other physical parameters in several challenging robotic manipulation tasks, and illustrate that only a small amount of real-world data can allow for effective sim-to-real transfer.
Applications · Computer Vision
Direct image alignment is a widely used technique for relative 6DoF pose estimation between two images, but its accuracy strongly depends on pose initialization.Therefore, recent end-to-end frameworks increase the convergence basin of the learned feature descriptors with special training objectives, such as the Gauss-Newton loss.However, the training data may exhibit bias toward a specific type of motion and pose initialization,thus limiting the generalization of these methods.In this work, we derive a closed-form solution to the expected optimum of the Gauss-Newton loss. The solution is agnostic to the underlying feature representation and allows us to dynamically adjust the basin of convergence according to our assumptions about the uncertainty in the current estimates. These properties allow for effective control over the convergence in the alignment process.Despite using self-supervised feature embeddings, our solution achieves compelling accuracy w.r.t. the state-of-the-art direct image alignment methods trained end-to-end with pose supervision, and demonstrates improved robustness to pose initialization.Our analytical solution exposes some inherent limitations of end-to-end learning with the Gauss-Newton loss, and establishes an intriguing connection between direct image alignment and feature-matching approaches.
Ill-posed linear inverse problems arise frequently in various applications, from computational photography to medical imaging.A recent line of research exploits Bayesian inference with informative priors to handle the ill-posedness of such problems.Amongst such priors, score-based generative models (SGM) have recently been successfully applied to several different inverse problems.In this study, we exploit the particular structure of the prior defined by the SGM to define a sequence of intermediate linear inverse problems. As the noise level decreases, the posteriors of these inverse problems get closer to the target posterior of the original inverse problem. To sample from this sequence of posteriors, we propose the use of Sequential Monte Carlo (SMC) methods.The proposed algorithm, \algo, is shown to be theoretically grounded and we provide numerical simulations showing that it outperforms competing baselines when dealing with ill-posed inverse problems in a Bayesian setting.
We propose Riemannian Flow Matching (RFM), a simple yet powerful framework for training continuous normalizing flows on manifolds. Existing methods for generative modeling on manifolds either require expensive simulation, are inherently unable to scale to high dimensions, or use approximations for limiting quantities that result in biased training objectives. Riemannian Flow Matching bypasses these limitations and offers several advantages over previous approaches: it is simulation-free on simple geometries, does not require divergence computation, and computes its target vector field in closed-form. The key ingredient behind RFM is the construction of a relatively simple premetric for defining target vector fields, which encompasses the existing Euclidean case. To extend to general geometries, we rely on the use of spectral decompositions to efficiently compute premetrics on the fly. Our method achieves state-of-the-art performance on real-world non-Euclidean datasets, and we demonstrate tractable training on general geometries, including triangular meshes with highly non-trivial curvature and boundaries.
Pre-training on task-agnostic large datasets is a promising approach for enhancing the sample efficiency of reinforcement learning (RL) in solving complex tasks. We present PTGM, a novel method that pre-trains goal-based models to augment RL by providing temporal abstractions and behavior regularization. PTGM involves pre-training a low-level, goal-conditioned policy and training a high-level policy to generate goals for subsequent RL tasks. To address the challenges posed by the high-dimensional goal space, while simultaneously maintaining the agent's capability to accomplish various skills, we propose clustering goals in the dataset to form a discrete high-level action space. Additionally, we introduce a pre-trained goal prior model to regularize the behavior of the high-level policy in RL, enhancing sample efficiency and learning stability. Experimental results in a robotic simulation environment and the challenging open-world environment of Minecraft demonstrate PTGM’s superiority in sample efficiency and task performance compared to baselines. Moreover, PTGM exemplifies enhanced interpretability and generalization of the acquired low-level skills.
Deep Learning · Graph Neural Networks
Neural networks that process the parameters of other neural networks find applications in domains as diverse as classifying implicit neural representations, generating neural network weights, and predicting generalization errors. However, existing approaches either overlook the inherent permutation symmetry in the neural network or rely on intricate weight-sharing patterns to achieve equivariance, while ignoring the impact of the network architecture itself. In this work, we propose to represent neural networks as computational graphs of parameters, which allows us to harness powerful graph neural networks and transformers that preserve permutation symmetry. Consequently, our approach enables a single model to encode neural computational graphs with diverse architectures. We showcase the effectiveness of our method on a wide range of tasks, including classification and editing of implicit neural representations, predicting generalization performance, and learning to optimize, while consistently outperforming state-of-the-art methods. The source code is open-sourced at https://github.com/mkofinas/neural-graphs.