NeurIPS 2023 Papers

Recently, text-to-image models have been thriving. Despite their powerful generative capacity, our research has uncovered a lack of robustness in this generation process. Specifically, the introduction of small perturbations to the text prompts can result in the blending of primary subjects with other categories or their complete disappearance in the generated images. In this paper, we propose **Auto-attack on Text-to-image Models (ATM)**, a gradient-based approach, to effectively and efficiently generate such perturbations. By learning a Gumbel Softmax distribution, we can make the discrete process of word replacement or extension continuous, thus ensuring the differentiability of the perturbation generation. Once the distribution is learned, ATM can sample multiple attack samples simultaneously. These attack samples can prevent the generative model from generating the desired subjects without tampering with the category keywords in the prompt. ATM has achieved a 91.1\% success rate in short-text attacks and an 81.2\% success rate in long-text attacks. Further empirical analysis revealed three attack patterns based on: 1) variability in generation speed, 2) similarity of coarse-grained characteristics, and 3) polysemy of words. The code is available at https://github.com/duchengbin8/Stable_Diffusion_is_Unstable

We show how to "compile" human-readable programs into standard decoder-only transformer models. Our compiler, Tracr, generates models with known structure. This structure can be used to design experiments. For example, we use it to study "superposition" in transformers that execute multi-step algorithms. Additionally, the known structure of Tracr-compiled models can serve as _ground-truth_ for evaluating interpretability methods. Commonly, because the "programs" learned by transformers are unknown it is unclear whether an interpretation succeeded. We demonstrate our approach by implementing and examining programs including computing token frequencies, sorting, and parenthesis checking. We provide an open-source implementation of Tracr at https://github.com/google-deepmind/tracr.

Self-supervised pre-training methods on proteins have recently gained attention, with most approaches focusing on either protein sequences or structures, neglecting the exploration of their joint distribution, which is crucial for a comprehensive understanding of protein functions by integrating co-evolutionary information and structural characteristics. In this work, inspired by the success of denoising diffusion models in generative tasks, we propose the DiffPreT approach to pre-train a protein encoder by sequence-structure joint diffusion modeling. DiffPreT guides the encoder to recover the native protein sequences and structures from the perturbed ones along the joint diffusion trajectory, which acquires the joint distribution of sequences and structures. Considering the essential protein conformational variations, we enhance DiffPreT by a method called Siamese Diffusion Trajectory Prediction (SiamDiff) to capture the correlation between different conformers of a protein. SiamDiff attains this goal by maximizing the mutual information between representations of diffusion trajectories of structurally-correlated conformers. We study the effectiveness of DiffPreT and SiamDiff on both atom- and residue-level structure-based protein understanding tasks. Experimental results show that the performance of DiffPreT is consistently competitive on all tasks, and SiamDiff achieves new state-of-the-art performance, considering the mean ranks on all tasks. Code will be released upon acceptance.

Decision trees have gained popularity as interpretable surrogate models for learning-based control policies. However, providing safety guarantees for systems controlled by decision trees is an open challenge. We show that the problem is undecidable even for systems with the simplest dynamics, and PSPACE-complete for finite-horizon properties. The latter can be verified for discrete-time systems via bounded model checking. However, for continuous-time systems, such an approach requires discretization, thereby weakening the guarantees for the original system. This paper presents the first algorithm to directly verify decision-tree controlled system in continuous time. The key aspect of our method is exploiting the decision-tree structure to propagate a set-based approximation through the decision nodes. We demonstrate the effectiveness of our approach by verifying safety of several decision trees distilled to imitate neural-network policies for nonlinear systems.

It is extremely difficult to train a superhuman Artificial Intelligence (AI) for games of similar size to StarCraft II. AlphaStar is the first AI that beat human professionals in the full game of StarCraft II, using a league training framework that is inspired by a game-theoretic approach. In this paper, we improve AlphaStar's league training in two significant aspects. We train goal-conditioned exploiters, whose abilities of spotting weaknesses in the main agent and the entire league are greatly improved compared to the unconditioned exploiters in AlphaStar. In addition, we endow the agents in the league with the new ability of opponent modeling, which makes the agent more responsive to the opponent's real-time strategy. Based on these improvements, we train a better and superhuman AI with orders of magnitude less resources than AlphaStar (see Table 1 for a full comparison). Considering the iconic role of StarCraft II in game AI research, we believe our method and results on StarCraft II provide valuable design principles on how one would utilize the general league training framework for obtaining a least-exploitable strategy in various, large-scale, real-world games.

The human brain rewires itself for neuroplasticity in the presence of new tasks. We are inspired to harness this key process in continual reinforcement learning, prioritizing adaptation to non-stationary environments. In distinction to existing rewiring approaches that rely on pruning or dynamic routing, which may limit network capacity and plasticity, this work presents a novel rewiring scheme by permuting hidden neurons. Specifically, the neuron permutation is parameterized to be end-to-end learnable and can rearrange all available synapses to explore a large span of weight space, thereby promoting adaptivity. In addition, we introduce two main designs to steer the rewiring process in continual reinforcement learning: first, a multi-mode rewiring strategy is proposed which diversifies the policy and encourages exploration when encountering new environments. Secondly, to ensure stability on history tasks, the network is devised to cache each learned wiring while subtly updating its weights, allowing for retrospective recovery of any previous state appropriate for the task. Meanwhile, an alignment mechanism is curated to achieve better plasticity-stability tradeoff by jointly optimizing cached wirings and weights. Our proposed method is comprehensively evaluated on 18 continual reinforcement learning scenarios ranging from locomotion to manipulation, demonstrating its advantages over state-of-the-art competitors in performance-efficiency tradeoffs. Code is available at https://github.com/feifeiobama/RewireNeuron.

We propose a new class of generative model that naturally handles data of varying dimensionality by jointly modeling the state and dimension of each datapoint. The generative process is formulated as a jump diffusion process that makes jumps between different dimensional spaces. We first define a dimension destroying forward noising process, before deriving the dimension creating time-reversed generative process along with a novel evidence lower bound training objective for learning to approximate it. Simulating our learned approximation to the time-reversed generative process then provides an effective way of sampling data of varying dimensionality by jointly generating state values and dimensions. We demonstrate our approach on molecular and video datasets of varying dimensionality, reporting better compatibility with test-time diffusion guidance imputation tasks and improved interpolation capabilities versus fixed dimensional models that generate state values and dimensions separately.

We present a novel observation about the behavior of offline reinforcement learning (RL) algorithms: on many benchmark datasets, offline RL can produce well-performing and safe policies even when trained with "wrong" reward labels, such as those that are zero everywhere or are negatives of the true rewards. This phenomenon cannot be easily explained by offline RL's return maximization objective. Moreover, it gives offline RL a degree of robustness that is uncharacteristic of its online RL counterparts, which are known to be sensitive to reward design. We demonstrate that this surprising robustness property is attributable to an interplay between the notion of *pessimism* in offline RL algorithms and certain implicit biases in common data collection practices. As we prove in this work, pessimism endows the agent with a *survival instinct*, i.e., an incentive to stay within the data support in the long term, while the limited and biased data coverage further constrains the set of survival policies. Formally, given a reward class -- which may not even contain the true reward -- we identify conditions on the training data distribution that enable offline RL to learn a near-optimal and safe policy from any reward within the class. We argue that the survival instinct should be taken into account when interpreting results from existing offline RL benchmarks and when creating future ones. Our empirical and theoretical results suggest a new paradigm for offline RL, whereby an agent is "nudged" to learn a desirable behavior with imperfect reward but purposely biased data coverage. Please visit our website [https://survival-instinct.github.io](https://survival-instinct.github.io) for accompanied code and videos.

Combinatorial optimization (CO) problems are often NP-hard and thus out of reach for exact algorithms, making them a tempting domain to apply machine learning methods. The highly structured constraints in these problems can hinder either optimization or sampling directly in the solution space. On the other hand, GFlowNets have recently emerged as a powerful machinery to efficiently sample from composite unnormalized densities sequentially and have the potential to amortize such solution-searching processes in CO, as well as generate diverse solution candidates. In this paper, we design Markov decision processes (MDPs) for different combinatorial problems and propose to train conditional GFlowNets to sample from the solution space. Efficient training techniques are also developed to benefit long-range credit assignment. Through extensive experiments on a variety of different CO tasks with synthetic and realistic data, we demonstrate that GFlowNet policies can efficiently find high-quality solutions. Our implementation is open-sourced at https://github.com/zdhNarsil/GFlowNet-CombOpt.

This paper provides a comprehensive error analysis of learning with vector-valued random features (RF). The theory is developed for RF ridge regression in a fully general infinite-dimensional input-output setting, but nonetheless applies to and improves existing finite-dimensional analyses. In contrast to comparable work in the literature, the approach proposed here relies on a direct analysis of the underlying risk functional and completely avoids the explicit RF ridge regression solution formula in terms of random matrices. This removes the need for concentration results in random matrix theory or their generalizations to random operators. The main results established in this paper include strong consistency of vector-valued RF estimators under model misspecification and minimax optimal convergence rates in the well-specified setting. The parameter complexity (number of random features) and sample complexity (number of labeled data) required to achieve such rates are comparable with Monte Carlo intuition and free from logarithmic factors.

We present MindEye, a novel fMRI-to-image approach to retrieve and reconstruct viewed images from brain activity. Our model comprises two parallel submodules that are specialized for retrieval (using contrastive learning) and reconstruction (using a diffusion prior). MindEye can map fMRI brain activity to any high dimensional multimodal latent space, like CLIP image space, enabling image reconstruction using generative models that accept embeddings from this latent space. We comprehensively compare our approach with other existing methods, using both qualitative side-by-side comparisons and quantitative evaluations, and show that MindEye achieves state-of-the-art performance in both reconstruction and retrieval tasks. In particular, MindEye can retrieve the exact original image even among highly similar candidates indicating that its brain embeddings retain fine-grained image-specific information. This allows us to accurately retrieve images even from large-scale databases like LAION-5B. We demonstrate through ablations that MindEye's performance improvements over previous methods result from specialized submodules for retrieval and reconstruction, improved training techniques, and training models with orders of magnitude more parameters. Furthermore, we show that MindEye can better preserve low-level image features in the reconstructions by using img2img, with outputs from a separate autoencoder. All code is available on GitHub.

Though modern neural networks have achieved impressive performance in both vision and language tasks, we know little about the functions that they implement. One possibility is that neural networks implicitly break down complex tasks into subroutines, implement modular solutions to these subroutines, and compose them into an overall solution to a task --- a property we term structural compositionality. Another possibility is that they may simply learn to match new inputs to learned templates, eliding task decomposition entirely. Here, we leverage model pruning techniques to investigate this question in both vision and language across a variety of architectures, tasks, and pretraining regimens. Our results demonstrate that models oftentimes implement solutions to subroutines via modular subnetworks, which can be ablated while maintaining the functionality of other subnetworks. This suggests that neural networks may be able to learn compositionality, obviating the need for specialized symbolic mechanisms.

We present \emph{DreamHuman}, a method to generate realistic animatable 3D human avatar models entirely from textual descriptions. Recent text-to-3D methods have made considerable strides in generation, but are still lacking in important aspects. Control and often spatial resolution remain limited, existing methods produce fixed rather than 3D human models that can be placed in different poses (i.e. re-posable or animatable), and anthropometric consistency for complex structures like people remains a challenge. \emph{DreamHuman} connects large text-to-image synthesis models, neural radiance fields, and statistical human body models in a novel optimization framework. This makes it possible to generate dynamic 3D human avatars with high-quality textures and learnt per-instance rigid and non rigid geometric deformations. We demonstrate that our method is capable to generate a wide variety of animatable, realistic 3D human models from text. These have diverse appearance, clothing, skin tones and body shapes, and outperform both generic text-to-3D approaches and previous text-based 3D avatar generators in visual fidelity.

Peer review assignment algorithms aim to match research papers to suitable expert reviewers, working to maximize the quality of the resulting reviews. A key challenge in designing effective assignment policies is evaluating how changes to the assignment algorithm map to changes in review quality. In this work, we leverage recently proposed policies that introduce randomness in peer-review assignment—in order to mitigate fraud—as a valuable opportunity to evaluate counterfactual assignment policies. Specifically, we exploit how such randomized assignments provide a positive probability of observing the reviews of many assignment policies of interest. To address challenges in applying standard off-policy evaluation methods, such as violations of positivity, we introduce novel methods for partial identification based on monotonicity and Lipschitz smoothness assumptions for the mapping between reviewer-paper covariates and outcomes. We apply our methods to peer-review data from two computer science venues: the TPDP'21 workshop (95 papers and 35 reviewers) and the AAAI'22 conference (8,450 papers and 3,145 reviewers). We consider estimates of (i) the effect on review quality when changing weights in the assignment algorithm, e.g., weighting reviewers' bids vs. textual similarity (between the review's past papers and the submission), and (ii) the "cost of randomization", capturing the difference in expected quality between the perturbed and unperturbed optimal match. We find that placing higher weight on text similarity results in higher review quality and that introducing randomization in the reviewer-paper assignment only marginally reduces the review quality. Our methods for partial identification may be of independent interest, while our off-policy approach can likely find use in evaluating a broad class of algorithmic matching systems.

In many search applications related to passage retrieval, text entailment, and subgraph search, the query and each 'document' is a set of elements, with a document being relevant if it contains the query. These elements are not represented by atomic IDs, but by embedded representations, thereby extending set containment to *soft* set containment. Recent applications address soft set containment by encoding sets into fixed-size vectors and checking for elementwise *vector* *dominance*. This 0/1 property can be relaxed to an asymmetric *hinge* *distance* for scoring and ranking candidate documents. Here we focus on data-sensitive, trainable indices for fast retrieval of relevant documents. Existing LSH methods are designed for mostly symmetric or few simple asymmetric distance functions, which are not suitable for hinge distance. Instead, we transform hinge distance into a proposed *dominance* *similarity* measure, to which we then apply a Fourier transform, thereby expressing dominance similarity as an expectation of inner products of functions in the frequency domain. Next, we approximate the expectation with an importance-sampled estimate. The overall consequence is that now we can use a traditional LSH, but in the frequency domain. To ensure that the LSH uses hash bits efficiently, we learn hash functions that are sensitive to both corpus and query distributions, mapped to the frequency domain. Our experiments show that the proposed asymmetric dominance similarity is critical to the targeted applications, and that our LSH, which we call FourierHashNet, provides a better query time vs. retrieval quality trade-off, compared to several baselines. Both the Fourier transform and the trainable hash codes contribute to performance gains.

An accurate environment dynamics model is crucial for various downstream tasks in sequential decision-making, such as counterfactual prediction, off-policy evaluation, and offline reinforcement learning. Currently, these models were learned through empirical risk minimization (ERM) by step-wise fitting of historical transition data. This way was previously believed unreliable over long-horizon rollouts because of the compounding errors, which can lead to uncontrollable inaccuracies in predictions. In this paper, we find that the challenge extends beyond just long-term prediction errors: we reveal that even when planning with one step, learned dynamics models can also perform poorly due to the selection bias of behavior policies during data collection. This issue will significantly mislead the policy optimization process even in identifying single-step optimal actions, further leading to a greater risk in sequential decision-making scenarios. To tackle this problem, we introduce a novel model-learning objective called adversarial weighted empirical risk minimization (AWRM). AWRM incorporates an adversarial policy that exploits the model to generate a data distribution that weakens the model's prediction accuracy, and subsequently, the model is learned under this adversarial data distribution. We implement a practical algorithm, GALILEO, for AWRM and evaluate it on two synthetic tasks, three continuous-control tasks, and \textit{a real-world application}. The experiments demonstrate that GALILEO can accurately predict counterfactual actions and improve various downstream tasks, including offline policy evaluation and improvement, as well as online decision-making.

Recent techniques that integrate solver layers into Deep Neural Networks (DNNs) have shown promise in bridging a long-standing gap between inductive learning and symbolic reasoning techniques. In this paper we present a set of techniques for integrating Satisfiability Modulo Theories (SMT) solvers into the forward and backward passes of a deep network layer, called SMTLayer. Using this approach, one can encode rich domain knowledge into the network in the form of mathematical formulas. In the forward pass, the solver uses symbols produced by prior layers, along with these formulas, to construct inferences; in the backward pass, the solver informs updates to the network, driving it towards representations that are compatible with the solver's theory. Notably, the solver need not be differentiable. We implement SMTLayer as a Pytorch module, and our empirical results show that it leads to models that 1) require fewer training samples than conventional models, 2) that are robust to certain types of covariate shift, and 3) that ultimately learn representations that are consistent with symbolic knowledge, and thus naturally interpretable.

Generative models capable of precisely capturing nuanced clinical features in medical images hold great promise for facilitating clinical data sharing, enhancing rare disease datasets, and efficiently synthesizing (annotated) medical images at scale. Despite their potential, assessing the quality of synthetic medical images remains a challenge. While modern generative models can synthesize visually-realistic medical images, the clinical plausibility of these images may be called into question. Domain-agnostic scores, such as FID score, precision, and recall, cannot incorporate clinical knowledge and are, therefore, not suitable for assessing clinical sensibility. Additionally, there are numerous unpredictable ways in which generative models may fail to synthesize clinically plausible images, making it challenging to anticipate potential failures and design automated scores for their detection. To address these challenges, this paper introduces a pathologist-in-the-loop framework for generating clinically-plausible synthetic medical images. Our framework comprises three steps: (1) pretraining a conditional diffusion model to generate medical images conditioned on a clinical concept, (2) expert pathologist evaluation of the generated images to assess whether they satisfy clinical desiderata, and (3) training a reward model that predicts human feedback on new samples, which we use to incorporate expert knowledge into the finetuning objective of the diffusion model. Our results show that human feedback significantly improves the quality of synthetic images in terms of fidelity, diversity, utility in downstream applications, and plausibility as evaluated by experts. We also demonstrate that human feedback can teach the model new clinical concepts not annotated in the original training data. Our results demonstrate the value of incorporating human feedback in clinical applications where generative models may struggle to capture extensive domain knowledge from raw data alone.

Language models have been successfully used to model natural signals, such as images, speech, and music. A key component of these models is a high quality neural compression model that can compress high-dimensional natural signals into lower dimensional discrete tokens. To that end, we introduce a high-fidelity universal neural audio compression algorithm that achieves ~90x compression of 44.1 KHz audio into tokens at just 8kbps bandwidth. We achieve this by combining advances in high-fidelity audio generation with better vector quantization techniques from the image domain, along with improved adversarial and reconstruction losses. We compress all domains (speech, environment, music, etc.) with a single universal model, making it widely applicable to generative modeling of all audio. We compare with competing audio compression algorithms, and find our method outperforms them significantly. We provide thorough ablations for every design choice, as well as open-source code and trained model weights. We hope our work can lay the foundation for the next generation of high-fidelity audio modeling.