ICLR 2024 Papers

Safety lies at the core of the development of Large Language Models (LLMs). There is ample work on aligning LLMs with human ethics and preferences, including data filtering in pretraining, supervised fine-tuning, reinforcement learning from human feedback, red teaming, etc. In this study, we discover that chat in cipher can bypass the safety alignment techniques of LLMs, which are mainly conducted in natural languages. We propose a novel framework CipherChat to systematically examine the generalizability of safety alignment to non-natural languages -- ciphers. CipherChat enables humans to chat with LLMs through cipher prompts topped with system role descriptions and few-shot enciphered demonstrations. We use CipherChat to assess state-of-the-art LLMs, including ChatGPT and GPT-4 for different representative human ciphers across 11 safety domains in both English and Chinese. Experimental results show that certain ciphers succeed almost 100% of the time in bypassing the safety alignment of GPT-4 in several safety domains, demonstrating the necessity of developing safety alignment for non-natural languages. Notably, we identify that LLMs seem to have a ''secret cipher'', and propose a novel SelfCipher that uses only role play and several unsafe demonstrations in natural language to evoke this capability. SelfCipher surprisingly outperforms existing human ciphers in almost all cases.

Diffusion models generate highly realistic images by learning a multi-step denoising process, naturally embodying the principles of multi-task learning (MTL). Despite the inherent connection between diffusion models and MTL, there remains an unexplored area in designing neural architectures that explicitly incorporate MTL into the framework of diffusion models. In this paper, we present Denoising Task Routing (DTR), a simple add-on strategy for existing diffusion model architectures to establish distinct information pathways for individual tasks within a single architecture by selectively activating subsets of channels in the model. What makes DTR particularly compelling is its seamless integration of prior knowledge of denoising tasks into the framework: (1) Task Affinity: DTR activates similar channels for tasks at adjacent timesteps and shifts activated channels as sliding windows through timesteps, capitalizing on the inherent strong affinity between tasks at adjacent timesteps. (2) Task Weights: During the early stages (higher timesteps) of the denoising process, DTR assigns a greater number of task-specific channels, leveraging the insight that diffusion models prioritize reconstructing global structure and perceptually rich contents in earlier stages, and focus on simple noise removal in later stages. Our experiments reveal that DTR not only consistently boosts diffusion models' performance across different evaluation protocols without adding extra parameters but also accelerates training convergence. Finally, we show the complementarity between our architectural approach and existing MTL optimization techniques, providing a more complete view of MTL in the context of diffusion training. Significantly, by leveraging this complementarity, we attain matched performance of DiT-XL using the smaller DiT-L with a reduction in training iterations from 7M to 2M. Our project page is available at https://byeongjun-park.github.io/DTR/

We introduce the $\textbf{O}$ne-shot $\textbf{P}$runing $\textbf{T}$echnique for $\textbf{I}$nterchangeable $\textbf{N}$etworks ($\textbf{OPTIN}$) framework as a tool to increase the efficiency of pre-trained transformer architectures $\textit{without requiring re-training}$. Recent works have explored improving transformer efficiency, however often incur computationally expensive re-training procedures or depend on architecture-specific characteristics, thus impeding practical wide-scale adoption. To address these shortcomings, the OPTIN framework leverages intermediate feature distillation, capturing the long-range dependencies of model parameters (coined $\textit{trajectory}$), to produce state-of-the-art results on natural language, image classification, transfer learning, and semantic segmentation tasks $\textit{without re-training}$. Given a FLOP constraint, the OPTIN framework will compress the network while maintaining competitive accuracy performance and improved throughput. Particularly, we show a $\leq 2$% accuracy degradation from NLP baselines and a $0.5$% improvement from state-of-the-art methods on image classification at competitive FLOPs reductions. We further demonstrate the generalization of tasks and architecture with comparative performance using Mask2Former for semantic segmentation and cnn-style networks. OPTIN presents one of the first one-shot efficient frameworks for compressing transformer architectures that generalizes well across different class domains, in particular: natural language and image-related tasks, without $\textit{re-training}$.

Modular approaches that use a different composition of modules for each problem are a promising direction in continual learning (CL). However, searching through the large, discrete space of module compositions is challenging, especially because evaluating a composition’s performance requires a round of neural network training. We address this challenge through a modular CL framework, PICLE, that uses a probabilistic model to cheaply compute the fitness of each composition, allowing PICLE to achieve both perceptual, few-shot and latent transfer. The model combines prior knowledge about good module compositions with dataset-specific information. We evaluate PICLE using two benchmark suites designed to assess different desiderata of CL techniques. Comparing to a wide range of approaches, we show that PICLE is the first modular CL algorithm to achieve perceptual, few-shot and latent transfer while scaling well to large search spaces, outperforming previous state-of-the-art modular CL approaches on long problem sequences.

Exposing meaningful and interpretable neural interactions is critical to understanding neural circuits. Inferred neural interactions from neural signals primarily reflect functional connectivity. In a long experiment, subject animals may experience different stages defined by the experiment, stimuli, or behavioral states, and hence functional connectivity can change over time. To model dynamically changing functional connectivity, prior work employs state-switching generalized linear models with hidden Markov models (i.e., HMM-GLMs). However, we argue they lack biological plausibility, as functional connectivities are shaped and confined by the underlying anatomical connectome. Here, we propose two novel prior-informed state-switching GLMs, called Gaussian HMM-GLM (Gaussian prior) and one-hot HMM-GLM (Gumbel-Softmax one-hot prior). We show that the learned prior should capture the state-invariant interaction, shedding light on the underlying anatomical connectome and revealing more likely physical neuron interactions. The state-dependent interaction modeled by each GLM offers traceability to capture functional variations across multiple brain states. Our methods effectively recover true interaction structures in simulated data, achieve the highest predictive likelihood, and enhance the interpretability of interaction patterns and hidden states when applied to real neural data. The code is available at \url{https://github.com/JerrySoybean/onehot-hmmglm}.

Reinforcement learning often needs to deal with the exponential growth of states and actions when exploring optimal control in high-dimensional spaces (often known as the curse of dimensionality). In this work, we address this issue by learning the inherent structure of action-wise similar MDP to appropriately balance the performance degradation versus sample/computational complexity. In particular, we partition the action spaces into multiple groups based on the similarity in transition distribution and reward function, and build a linear decomposition model to capture the difference between the intra-group transition kernel and the intra-group rewards. Both our theoretical analysis and experiments reveal a *surprising and counter-intuitive result*: while a more refined grouping strategy can reduce the approximation error caused by treating actions in the same group as identical, it also leads to increased estimation error when the size of samples or the computation resources is limited. This finding highlights the grouping strategy as a new degree of freedom that can be optimized to minimize the overall performance loss. To address this issue, we formulate a general optimization problem for determining the optimal grouping strategy, which strikes a balance between performance loss and sample/computational complexity. We further propose a computationally efficient method for selecting a nearly-optimal grouping strategy, which maintains its computational complexity independent of the size of the action space.

The _Euler Characteristic Transform_ (ECT) is a powerful invariant, combining geometrical and topological characteristics of shapes and graphs. However, the ECT was hitherto unable to learn task-specific representations. We overcome this issue and develop a novel computational layer that enables learning the ECT in an end-to-end fashion. Our method, the _Differentiable Euler Characteristic Transform_ (DECT) is fast and computationally efficient, while exhibiting performance on a par with more complex models in both graph and point cloud classification tasks. Moreover, we show that this seemingly simple statistic provides the same topological expressivity as more complex topological deep learning layers.

Offline reinforcement learning (RL) has attracted much attention due to its ability in learning from static offline datasets and eliminating the need of interacting with the environment. Nevertheless, the success of offline RL relies heavily on the offline transitions annotated with reward labels. In practice, we often need to hand-craft the reward function, which is sometimes difficult, labor-intensive, or inefficient. To tackle this challenge, we set our focus on the offline imitation learning (IL) setting, and aim at getting a reward function based on the expert data and unlabeled data. To that end, we propose a simple yet effective search-based offline IL method, tagged SEABO. SEABO allocates a larger reward to the transition that is close to its closest neighbor in the expert demonstration, and a smaller reward otherwise, all in an unsupervised learning manner. Experimental results on a variety of D4RL datasets indicate that SEABO can achieve competitive performance to offline RL algorithms with ground-truth rewards, given only a single expert trajectory, and can outperform prior reward learning and offline IL methods across many tasks. Moreover, we demonstrate that SEABO also works well if the expert demonstrations contain only observations. Our code is publicly available at https://github.com/dmksjfl/SEABO.

Recent works have shown that Large Language Models (LLMs) could empower traditional neuro-symbolic models via programming capabilities to translate languages into module descriptions, thus achieving strong visual reasoning results while maintaining the model’s transparency and efficiency. However, these models usually exhaustively generate the entire code snippet given each new instance of a task, which is extremely ineffective. On the contrary, human beings gradually acquire knowledge that can be reused and grow into more profound skills for fast generalization to new tasks since we are an infant. Inspired by this, we propose generative neuro-symbolic visual reasoning by growing and reusing modules. Specifically, our model consists of three unique stages, module initialization, module generation, and module execution. First, given a vision-language task, we adopt LLMs to examine whether we could reuse and grow over established modules to handle this new task. If not, we initialize a new module needed by the task and specify the inputs and outputs of this new module. After that, the new module is created by querying LLMs to generate corresponding code snippets that match the requirements. In order to get a better sense of the new module’s ability, we treat few-shot training examples as test cases to see if our new module could pass these cases. If yes, the new module is added to the module library for future reuse. Finally, we evaluate the performance of our model on the testing set by executing the parsed programs with the newly made visual modules to get the results. We find the proposed GENOME model possesses several advantages. First, it performs competitively on standard tasks like visual question answering and referring expression comprehension; Second, the visual modules learned from one task can be seamlessly transferred to new tasks; Last but not least, it is able to adapt to new visual reasoning tasks by observing a few training examples and reusing modules.

Recent studies have demonstrated the great power of Transformer models for time series forecasting. One of the key elements that lead to the transformer's success is the channel-independent (CI) strategy to improve the training robustness. However, the ignorance of the correlation among different channels in CI would limit the model's forecasting capacity. In this work, we design a special Transformer, i.e., **C**hannel **A**ligned **R**obust Blen**d** Transformer (CARD for short), that addresses key shortcomings of CI type Transformer in time series forecasting. First, CARD introduces a channel-aligned attention structure that allows it to capture both temporal correlations among signals and dynamical dependence among multiple variables over time. Second, in order to efficiently utilize the multi-scale knowledge, we design a token blend module to generate tokens with different resolutions. Third, we introduce a robust loss function for time series forecasting to alleviate the potential overfitting issue. This new loss function weights the importance of forecasting over a finite horizon based on prediction uncertainties. Our evaluation of multiple long-term and short-term forecasting datasets demonstrates that CARD significantly outperforms state-of-the-art time series forecasting methods. The code is available at the following repository: https://github.com/wxie9/CARD.

Recent advancements in meta-learning have enabled the automatic discovery of novel reinforcement learning algorithms parameterized by surrogate objective functions. To improve upon manually designed algorithms, the parameterization of this learned objective function must be expressive enough to represent novel principles of learning (instead of merely recovering already established ones) while still generalizing to a wide range of settings outside of its meta-training distribution. However, existing methods focus on discovering objective functions that, like many widely used objective functions in reinforcement learning, do not take into account the total number of steps allowed for training, or “training horizon”. In contrast, humans use a plethora of different learning objectives across the course of acquiring a new ability. For instance, students may alter their studying techniques based on the proximity to exam deadlines and their self-assessed capabilities. This paper contends that ignoring the optimization time horizon significantly restricts the expressive potential of discovered learning algorithms. We propose a simple augmentation to two existing objective discovery approaches that allows the discovered algorithm to dynamically update its objective function throughout the agent’s training procedure, resulting in expressive schedules and increased generalization across different training horizons. In the process, we find that commonly used meta-gradient approaches fail to discover such adaptive objective functions while evolution strategies discover highly dynamic learning rules. We demonstrate the effectiveness of our approach on a wide range of tasks and analyze the resulting learned algorithms, which we find effectively balance exploration and exploitation by modifying the structure of their learning rules throughout the agent’s lifetime.

As a technique to bridge logit matching and probability distribution matching, temperature scaling plays a pivotal role in knowledge distillation (KD). Conventionally, temperature scaling is applied to both teacher's logits and student's logits in KD. Motivated by some recent works, in this paper, we drop instead temperature scaling on the student side, and systematically study the resulting variant of KD, dubbed transformed teacher matching (TTM). By reinterpreting temperature scaling as a power transform of probability distribution, we show that in comparison with the original KD, TTM has an inherent Rényi entropy term in its objective function, which serves as an extra regularization term. Extensive experiment results demonstrate that thanks to this inherent regularization, TTM leads to trained students with better generalization than the original KD. To further enhance student's capability to match teacher's power transformed probability distribution, we introduce a sample-adaptive weighting coefficient into TTM, yielding a novel distillation approach dubbed weighted TTM (WTTM). It is shown, by comprehensive experiments, that although WTTM is simple, it is effective, improves upon TTM, and achieves state-of-the-art accuracy performance. Our source code is available at https://github.com/zkxufo/TTM.

We present Symphony, an $E(3)$ equivariant autoregressive generative model for 3D molecular geometries that iteratively builds a molecule from molecular fragments. Existing autoregressive models such as G-SchNet and G-SphereNet for molecules utilize rotationally invariant features to respect the 3D symmetries of molecules. In contrast, Symphony uses message-passing with higher-degree $E(3)$-equivariant features. This allows a novel representation of probability distributions via spherical harmonic signals to efficiently model the 3D geometry of molecules. We show that Symphony is able to accurately generate small molecules from the QM9 dataset, outperforming existing autoregressive models and approaching the performance of diffusion models. Our code is available at https://github.com/atomicarchitects/symphony.

A central objective in neuroscience is to understand how the brain orchestrates movement. Recent advances in automated tracking technologies have made it possible to document behavior with unprecedented temporal resolution and scale, generating rich datasets which can be exploited to gain insights into the neural control of movement. One common approach is to identify stereotypical motor primitives using cluster analysis. However, this categorical description can limit our ability to model the effect of more continuous control schemes. Here we take a control theoretic approach to behavioral modeling and argue that movements can be understood as the output of a controlled dynamical system. Previously, models of movement dynamics, trained solely on behavioral data, have been effective in reproducing observed features of neural activity. These models addressed specific scenarios where animals were trained to execute particular movements upon receiving a prompt. In this study, we extend this approach to analyze the full natural locomotor repertoire of an animal: the zebrafish larva. Our findings demonstrate that this repertoire can be effectively generated through a sparse control signal driving a latent Recurrent Neural Network (RNN). Our model's learned latent space preserves key kinematic features and disentangles different categories of movements. To further interpret the latent dynamics, we used balanced model reduction to yield a simplified model. Collectively, our methods serve as a case study for interpretable system identification, and offer a novel framework for understanding neural activity in relation to movement.

Deep neural networks are susceptible to adversarial attacks, which can compromise their performance and accuracy. Adversarial Training (AT) has emerged as a popular approach for protecting neural networks against such attacks. However, a key challenge of AT is robust overfitting, where the network's robust performance on test data deteriorates with further training, thus hindering generalization. Motivated by the concept of active forgetting in the brain, we introduce a novel learning paradigm called "Forget to Mitigate Overfitting (FOMO)". FOMO alternates between the forgetting phase, which randomly forgets a subset of weights and regulates the model's information through weight reinitialization, and the relearning phase, which emphasizes learning generalizable features. Our experiments on benchmark datasets and adversarial attacks show that FOMO alleviates robust overfitting by significantly reducing the gap between the best and last robust test accuracy while improving the state-of-the-art robustness. Furthermore, FOMO provides a better trade-off between the standard and robust accuracy outperforming baseline adversarial methods. Finally, our framework is robust to AutoAttacks and increases generalization in many real-world scenarios.

Proactive dialogues serve as a practical yet challenging dialogue problem in the era of large language models (LLMs), where the dialogue policy planning is the key to improving the proactivity of LLMs. Most existing studies enable the dialogue policy planning of LLMs using various prompting schemes or iteratively enhance this capability in handling the given case with verbal AI feedback. However, these approaches are either bounded by the policy planning capability of the frozen LLMs or hard to be transferred to new cases. In this work, we introduce a new dialogue policy planning paradigm to strategize LLMs for proactive dialogue problems with a tunable language model plug-in as a plug-and-play dialogue policy planner, named PPDPP. Specifically, we develop a novel training framework to facilitate supervised fine-tuning over available human-annotated data as well as reinforcement learning from goal-oriented AI feedback with dynamic interaction data collected by the LLM-based self-play simulation. In this manner, the LLM-powered dialogue agent can not only be generalized to different cases after the training, but also be applicable to different applications by just substituting the learned plug-in. In addition, we propose to evaluate the policy planning capability of dialogue systems under the interactive setting. Experimental results demonstrate that PPDPP consistently and substantially outperforms existing approaches on three different proactive dialogue applications, including negotiation, emotional support, and tutoring dialogues.

We uncover a surprising phenomenon in deep reinforcement learning: training a diverse ensemble of data-sharing agents -- a well-established exploration strategy -- can significantly impair the performance of the individual ensemble members when compared to standard single-agent training. Through careful analysis, we attribute the degradation in performance to the low proportion of self-generated data in the shared training data for each ensemble member, as well as the inefficiency of the individual ensemble members to learn from such highly off-policy data. We thus name this phenomenon *the curse of diversity*. We find that several intuitive solutions -- such as a larger replay buffer or a smaller ensemble size -- either fail to consistently mitigate the performance loss or undermine the advantages of ensembling. Finally, we demonstrate the potential of representation learning to counteract the curse of diversity with a novel method named Cross-Ensemble Representation Learning (CERL) in both discrete and continuous control domains. Our work offers valuable insights into an unexpected pitfall in ensemble-based exploration and raises important caveats for future applications of similar approaches.

Posterior sampling allows exploitation of prior knowledge on the environment's transition dynamics to improve the sample efficiency of reinforcement learning. The prior is typically specified as a class of parametric distributions, the design of which can be cumbersome in practice, often resulting in the choice of uninformative priors. In this work, we propose a novel posterior sampling approach in which the prior is given as a (partial) causal graph over the environment's variables. The latter is often more natural to design, such as listing known causal dependencies between biometric features in a medical treatment study. Specifically, we propose a hierarchical Bayesian procedure, called C-PSRL, simultaneously learning the full causal graph at the higher level and the parameters of the resulting factored dynamics at the lower level. We provide an analysis of the Bayesian regret of C-PSRL that explicitly connects the regret rate with the degree of prior knowledge. Our numerical evaluation conducted in illustrative domains confirms that C-PSRL strongly improves the efficiency of posterior sampling with an uninformative prior while performing close to posterior sampling with the full causal graph.

This paper introduces Instruction-oriented Object Detection (IOD), a new task that enhances human-computer interaction by enabling object detectors to understand user instructions and locate relevant objects. Unlike traditional open-vocabulary object detection tasks that rely on users providing a list of required category names, IOD requires models to comprehend natural-language instructions, contextual reasoning, and output the name and location of the desired categories. This poses fresh challenges for modern object detection systems. To develop an IOD system, we create a dataset called IOD-Bench, which consists of instruction-guided detections, along with specialized evaluation metrics. We leverage large-scale language models (LLMs) to generate a diverse set of instructions (8k+) based on existing public object detection datasets, covering a wide range of real-world scenarios. As an initial approach to the IOD task, we propose a model called Ins-DetCLIP. It harnesses the extensive knowledge within LLMs to empower the detector with instruction-following capabilities. Specifically, our Ins-DetCLIP employs a visual encoder (i.e., DetCLIP, an open-vocabulary detector) to extract object-level features. These features are then aligned with the input instructions using a cross-modal fusion module integrated into a pre-trained LLM. Experimental results conducted on IOD-Bench demonstrate that our model consistently outperforms baseline methods that directly combine LLMs with detection models. This research aims to pave the way for a more adaptable and versatile interaction paradigm in modern object detection systems, making a significant contribution to the field.