ICLR 2024 Papers

Recent advancements in learning-based Multi-View Stereo (MVS) methods have prominently featured transformer-based models with attention mechanisms. However, existing approaches have not thoroughly investigated the profound influence of transformers on different MVS modules, resulting in limited depth estimation capabilities. In this paper, we introduce MVSFormer++, a method that prudently maximizes the inherent characteristics of attention to enhance various components of the MVS pipeline. Formally, our approach involves infusing cross-view information into the pre-trained DINOv2 model to facilitate MVS learning. Furthermore, we employ different attention mechanisms for the feature encoder and cost volume regularization, focusing on feature and spatial aggregations respectively. Additionally, we uncover that some design details would substantially impact the performance of transformer modules in MVS, including normalized 3D positional encoding, adaptive attention scaling, and the position of layer normalization. Comprehensive experiments on DTU, Tanks-and-Temples, BlendedMVS, and ETH3D validate the effectiveness of the proposed method. Notably, MVSFormer++ achieves state-of-the-art performance on the challenging DTU and Tanks-and-Temples benchmarks. Codes and models are available at https://github.com/maybeLx/MVSFormerPlusPlus.

Large language models (LMs) are capable of generating free-text rationales to aid question answering. However, prior work 1) suggests that useful self-rationalization is emergent only at significant scales (e.g., 175B parameter GPT-3); and 2) focuses largely on downstream performance, ignoring the semantics of the rationales themselves, e.g., are they faithful, true, and helpful for humans? In this work, we enable small-scale LMs (∼200x smaller than GPT-3) to generate rationales that not only improve downstream task performance, but are also more plausible, consistent, and diverse, assessed both by automatic and human evaluation. Our method, MaRio (Multi-rewArd RatIOnalization), is a multi-reward conditioned self-rationalization algorithm that optimizes multiple distinct properties like plausibility, diversity and consistency. Results on three difficult question-answering datasets StrategyQA, QuaRel and OpenBookQA show that not only does MaRio improve task accuracy, but it also improves the self-rationalization quality of small LMs across the aforementioned axes better than a supervised fine-tuning (SFT) baseline. Extensive human evaluations confirm that MaRio rationales are preferred vs. SFT rationales, as well as qualitative improvements in plausibility and consistency.

Vision-language models such as CLIP have shown great impact on diverse downstream tasks for zero-shot or label-free predictions. However, when it comes to low-level vision such as image restoration their performance deteriorates dramatically due to corrupted inputs. In this paper, we present a degradation-aware vision-language model (DA-CLIP) to better transfer pretrained vision-language models to low-level vision tasks as a multi-task framework for image restoration. More specifically, DA-CLIP trains an additional controller that adapts the fixed CLIP image encoder to predict high-quality feature embeddings. By integrating the embedding into an image restoration network via cross-attention, we are able to pilot the model to learn a high-fidelity image reconstruction. The controller itself will also output a degradation feature that matches the real corruptions of the input, yielding a natural classifier for different degradation types. In addition, we construct a mixed degradation dataset with synthetic captions for DA-CLIP training. Our approach advances state-of-the-art performance on both degradation-specific and unified image restoration tasks, showing a promising direction of prompting image restoration with large-scale pretrained vision-language models. Our code is available at https://github.com/Algolzw/daclip-uir.

Recent studies have demonstrated Large Language Models (LLMs) can extend their zero-shot generalization capabilities to multimodal learning through instruction tuning. As more modalities and downstream tasks are introduced, negative conflicts and interference may have a worse impact on performance. While this phenomenon has been overlooked in previous work, we propose a novel and extensible framework, called Octavius, for comprehensive studies and experimentation on multimodal learning with Multimodal Large Language Models (MLLMs). Specifically, to mitigate the interference, we combine the concept of Mixture-of-Experts (MoE) with LoRA and design a multimodal LoRA-MoE decoder for task- and modality-specific learning. To the best of our knowledge, we are one of the pioneering efforts to introduce MoE into MLLMs to address this problem. The experimental results (about 20% improvement) have shown the effectiveness and versatility of our design in various 2D and 3D downstream tasks. Code and corresponding dataset will be available soon.

Most algorithms in reinforcement learning (RL) require that the objective is formalised with a Markovian reward function. However, it is well-known that certain tasks cannot be expressed by means of an objective in the Markov rewards formalism, motivating the study of alternative objective-specification formalisms in RL such as Linear Temporal Logic and Multi-Objective Reinforcement Learning. To date, there has not yet been any thorough analysis of how these formalisms relate to each other in terms of their expressivity. We fill this gap in the existing literature by providing a comprehensive comparison of 17 salient objective-specification formalisms. We place these formalisms in a preorder based on their expressive power, and present this preorder as a Hasse diagram. We find a variety of limitations for the different formalisms, and argue that no formalism is both dominantly expressive and straightforward to optimise with current techniques. For example, we prove that each of Regularised RL, (Outer) Nonlinear Markov Rewards, Reward Machines, Linear Temporal Logic, and Limit Average Rewards can express a task that the others cannot. The significance of our results is twofold. First, we identify important expressivity limitations to consider when specifying objectives for policy optimization. Second, our results highlight the need for future research which adapts reward learning to work with a greater variety of formalisms, since many existing reward learning methods assume that the desired objective takes a Markovian form. Our work contributes towards a more cohesive understanding of the costs and benefits of different RL objective-specification formalisms.

It is desirable for an agent to be able to solve a rich variety of problems that can be specified through language in the same environment. A popular approach towards obtaining such agents is to reuse skills learned in prior tasks to generalise compositionally to new ones. However, this is a challenging problem due to the curse of dimensionality induced by the combinatorially large number of ways high-level goals can be combined both logically and temporally in language. To address this problem, we propose a framework where an agent first learns a sufficient set of skill primitives to achieve all high-level goals in its environment. The agent can then flexibly compose them both logically and temporally to provably achieve temporal logic specifications in any regular language, such as regular fragments of linear temporal logic. This provides the agent with the ability to map from complex temporal logic task specifications to near-optimal behaviours zero-shot. We demonstrate this experimentally in a tabular setting, as well as in a high-dimensional video game and continuous control environment. Finally, we also demonstrate that the performance of skill machines can be improved with regular off-policy reinforcement learning algorithms when optimal behaviours are desired.

Machine learning methods can be a valuable aid in the scientific process, but they need to face challenging settings where data come from inhomogeneous experimental conditions. Recent meta-learning methods have made significant progress in multi-task learning, but they rely on black-box neural networks, resulting in high computational costs and limited interpretability. We introduce CAMEL, a new meta-learning architecture capable of learning efficiently from multiple environments, with an affine structure with respect to the learning task. We prove that CAMEL can identify the physical parameters of the system, enabling interpreable learning. We demonstrate the competitive generalization performance and the low computational cost of our method by comparing it to state-of-the-art algorithms on physical systems, ranging from toy models to complex, non-analytical systems. The interpretability of our method is illustrated with original applications to parameter identification and to adaptive control and system identification.

Multi-task learning (MTL) aims to empower a model to tackle multiple tasks simultaneously. A recent development known as task arithmetic has revealed that several models, each fine-tuned for distinct tasks, can be directly merged into a single model to execute MTL without necessitating a retraining process using the initial training data. Nevertheless, this direct addition of models often leads to a significant deterioration in the overall performance of the merged model. This decline occurs due to potential conflicts and intricate correlations among the multiple tasks. Consequently, the challenge emerges of how to merge pre-trained models more effectively without using their original training data. This paper introduces an innovative technique called Adaptive Model Merging (AdaMerging). This approach aims to autonomously learn the coefficients for model merging, either in a task-wise or layer-wise manner, without relying on the original training data. Specifically, our AdaMerging method operates as an automatic, unsupervised task arithmetic scheme. It leverages entropy minimization on unlabeled test samples from the multi-task setup as a surrogate objective function to iteratively refine the merging coefficients of the multiple models. Our experimental findings across eight tasks demonstrate the efficacy of the AdaMerging scheme we put forth. Compared to the current state-of-the-art (SOTA) task arithmetic merging scheme, AdaMerging showcases a remarkable 11\% improvement in performance. Notably, AdaMerging also exhibits superior generalization capabilities when applied to unseen downstream tasks. Furthermore, it displays a significantly enhanced robustness to data distribution shifts that may occur during the testing phase.

Large pre-trained models have enabled significant advances in machine learning and served as foundation components. Model fusion methods, such as task arithmetic, have been proven to be powerful and scalable to incorporate fine-tuned weights from different tasks into a multi-task model. However, efficiently fine-tuning large pre-trained models on multiple downstream tasks remains challenging, leading to inefficient multi-task model fusion. In this work, we propose a novel method to improve multi-task fusion for parameter-efficient fine-tuning techniques like LoRA fine-tuning. Specifically, our approach partially linearizes only the adapter modules and applies task arithmetic over the linearized adapters. This allows us to leverage the the advantages of model fusion over linearized fine-tuning, while still performing fine-tuning and inference efficiently. We demonstrate that our partial linearization technique enables a more effective fusion of multiple tasks into a single model, outperforming standard adapter tuning and task arithmetic alone. Experimental results demonstrate the capabilities of our proposed partial linearization technique to effectively construct unified multi-task models via the fusion of fine-tuned task vectors. We evaluate performance over an increasing number of tasks and find that our approach outperforms standard parameter-efficient fine-tuning techniques. The results highlight the benefits of partial linearization for scalable and efficient multi-task model fusion.

Spiking Neural Networks (SNNs) have garnered considerable attention due to their energy efficiency and unique biological characteristics. However, the widely adopted Leaky Integrate-and-Fire (LIF) model, as the mainstream neuron model in current SNN research, has been revealed to exhibit significant deficiencies in deep-layer gradient calculation and capturing global information on the time dimension. In this paper, we propose the Learnable Multi-hierarchical (LM-H) model to address these issues by dynamically regulating its membrane-related factors. We point out that the LM-H model fully encompasses the information representation range of the LIF model while offering the flexibility to adjust the extraction ratio between historical and current information. Additionally, we theoretically demonstrate the effectiveness of the LM-H model and the functionality of its internal parameters, and propose a progressive training algorithm tailored specifically for the LM-H model. Furthermore, we devise an efficient training framework for our novel advanced model, encompassing hybrid training and time-slicing online training. Through extensive experiments on various datasets, we validate the remarkable superiority of our model and training algorithm compared to previous state-of-the-art approaches. Code is available at [https://github.com/hzc1208/STBP_LMH](https://github.com/hzc1208/STBP_LMH).

We investigate the combinatorial multi-armed bandit problem where an action is to select $k$ arms from a set of base arms, and its reward is the maximum of the sample values of these $k$ arms, under a weak feedback structure that only returns the value and index of the arm with the maximum value. This novel feedback structure is much weaker than the semi-bandit feedback previously studied and is only slightly stronger than the full-bandit feedback, and thus it presents a new challenge for the online learning task. We propose an algorithm and derive a regret bound for instances where arm outcomes follow distributions with finite supports. Our algorithm introduces a novel concept of biased arm replacement to address the weak feedback challenge, and it achieves a distribution-dependent regret bound of $O((k/\Delta)\log(T))$ and a distribution-independent regret bound of $\tilde{O}(\sqrt{T})$, where $\Delta$ is the reward gap and $T$ is the time horizon. Notably, our regret bound is comparable to the bounds obtained under the more informative semi-bandit feedback. We demonstrate the effectiveness of our algorithm through experimental results.

Diffusion-based generative modeling has been achieving state-of-the-art results on various generation tasks. Most diffusion models, however, are limited to a single-generation modeling. Can we generalize diffusion models with the ability of multi-modal generative training for more generalizable modeling? In this paper, we propose a principled way to define a diffusion model by constructing a unified multi-modal diffusion model in a common {\em diffusion space}. We define the forward diffusion process to be driven by an information aggregation from multiple types of task-data, {\it e.g.}, images for a generation task and labels for a classification task. In the reverse process, we enforce information sharing by parameterizing a shared backbone denoising network with additional modality-specific decoder heads. Such a structure can simultaneously learn to generate different types of multi-modal data with a multi-task loss, which is derived from a new multi-modal variational lower bound that generalizes the standard diffusion model. We propose several multi-modal generation settings to verify our framework, including image transition, masked-image training, joint image-label and joint image-representation generative modeling. Extensive experimental results on ImageNet indicate the effectiveness of our framework for various multi-modal generative modeling, which we believe is an important research direction worthy of more future explorations.

We aim at exploiting additional auxiliary labels from an independent (auxiliary) task to boost the primary task performance which we focus on, while preserving a single task inference cost of the primary task. While most existing auxiliary learning methods are optimization-based relying on loss weights/gradients manipulation, our method is architecture-based with a flexible asymmetric structure for the primary and auxiliary tasks, which produces different networks for training and inference. Specifically, starting from two single task networks/branches (each representing a task), we propose a novel method with evolving networks where only primary-to-auxiliary links exist as the cross-task connections after convergence. These connections can be removed during the primary task inference, resulting in a single-task inference cost. We achieve this by formulating a Neural Architecture Search (NAS) problem, where we initialize bi-directional connections in the search space and guide the NAS optimization converging to an architecture with only the single-side primary-to-auxiliary connections. Moreover, our method can be incorporated with optimization-based auxiliary learning approaches. Extensive experiments with six tasks on NYU v2, CityScapes, and Taskonomy datasets using VGG, ResNet, and ViT backbones validate the promising performance. The codes are available at https://github.com/ethanygao/Aux-NAS.

Reinforcement learning (RL) for complex tasks remains a challenge, primarily due to the difficulties of engineering scalar reward functions and the inherent inefficiency of training models from scratch. Instead, it would be better to specify complex tasks in terms of elementary subtasks and to reuse subtask solutions whenever possible. In this work, we address continuous space lexicographic multi-objective RL problems, consisting of prioritized subtasks, which are notoriously difficult to solve. We show that these can be scalarized with a subtask transformation and then solved incrementally using value decomposition. Exploiting this insight, we propose prioritized soft Q-decomposition (PSQD), a novel algorithm for learning and adapting subtask solutions under lexicographic priorities in continuous state-action spaces. PSQD offers the ability to reuse previously learned subtask solutions in a zero-shot composition, followed by an adaptation step. Its ability to use retained subtask training data for offline learning eliminates the need for new environment interaction during adaptation. We demonstrate the efficacy of our approach by presenting successful learning, reuse, and adaptation results for both low- and high-dimensional simulated robot control tasks, as well as offline learning results. In contrast to baseline approaches, PSQD does not trade off between conflicting subtasks or priority constraints and satisfies subtask priorities during learning. PSQD provides an intuitive framework for tackling complex RL problems, offering insights into the inner workings of the subtask composition.

Multi-objective optimization (MOO) has become an influential framework for various machine learning problems, including reinforcement learning and multi-task learning. In this paper, we study the black-box multi-objective optimization problem, where we aim to optimize multiple potentially conflicting objectives with function queries only. To address this challenging problem and find a Pareto optimal solution or the Pareto stationary solution, we propose a novel adaptive stochastic gradient algorithm for black-box MOO, called ASMG. Specifically, we use the stochastic gradient approximation method to obtain the gradient for the distribution parameters of the Gaussian smoothed MOO with function queries only. Subsequently, an adaptive weight is employed to aggregate all stochastic gradients to optimize all objective functions effectively. Theoretically, we explicitly provide the connection between the original MOO problem and the corresponding Gaussian smoothed MOO problem and prove the convergence rate for the proposed ASMG algorithm in both convex and non-convex scenarios. Empirically, the proposed ASMG method achieves competitive performance on multiple numerical benchmark problems. Additionally, the state-of-the-art performance on the black-box multi-task learning problem demonstrates the effectiveness of the proposed ASMG method.

Recently, pre-trained foundation models have enabled significant advancements in multiple fields. In molecular machine learning, however, where datasets are often hand-curated, and hence typically small, the lack of datasets with labeled features, and codebases to manage those datasets, has hindered the development of foundation models. In this work, we present seven novel datasets categorized by size into three distinct categories: ToyMix, LargeMix and UltraLarge. These datasets push the boundaries in both the scale and the diversity of supervised labels for molecular learning. They cover nearly 100 million molecules and over 3000 sparsely defined tasks, totaling more than 13 billion individual labels of both quantum and biological nature. In comparison, our datasets contain 300 times more data points than the widely used OGB-LSC PCQM4Mv2 dataset, and 13 times more than the quantum-only QM1B dataset. In addition, to support the development of foundational models based on our proposed datasets, we present the Graphium graph machine learning library which simplifies the process of building and training molecular machine learning models for multi-task and multi-level molecular datasets. Finally, we present a range of baseline results as a starting point of multi-task and multi-level training on these datasets. Empirically, we observe that performance on low-resource biological datasets show improvement by also training on large amounts of quantum data. This indicates that there may be potential in multi-task and multi-level training of a foundation model and fine-tuning it to resource-constrained downstream tasks. The Graphium library is publicly available on Github and the dataset links are available in Part 1 and Part 2.

We consider the optimization of complex performance metrics in multi-label classification under the population utility framework. We mainly focus on metrics linearly decomposable into a sum of binary classification utilities applied separately to each label with an additional requirement of exactly $k$ labels predicted for each instance. These "macro-at-$k$" metrics possess desired properties for extreme classification problems with long tail labels. Unfortunately, the at-$k$ constraint couples the otherwise independent binary classification tasks, leading to a much more challenging optimization problem than standard macro-averages. We provide a statistical framework to study this problem, prove the existence and the form of the optimal classifier, and propose a statistically consistent and practical learning algorithm based on the Frank-Wolfe method. Interestingly, our main results concern even more general metrics being non-linear functions of label-wise confusion matrices. Empirical results provide evidence for the competitive performance of the proposed approach.

Searching for novel and diverse molecular candidates is a critical undertaking in drug and material discovery. Existing approaches have successfully adapted the diffusion model, the most effective generative model in image generation, to create 1D SMILES strings, 2D chemical graphs, or 3D molecular conformers. However, these methods are not efficient and flexible enough to generate 3D molecules with multiple desired properties, as they require additional training for the models for each new property or even a new combination of existing properties. Moreover, some properties may potentially conflict, making it impossible to find a molecule that satisfies all of them simultaneously. To address these challenges, we present a training-free conditional 3D molecular generation algorithm based on off-the-shelf unconditional diffusion models and property prediction models. The key techniques include modeling the loss of property prediction models as energy functions, considering the property relation between multiple conditions as a probabilistic graph, and developing a stable posterior estimation for computing the conditional score function. We conducted experiments on both single-objective and multi-objective 3D molecule generation, focusing on quantum properties, and compared our approach with the trained or fine-tuned diffusion models. Our proposed model achieves superior performance in generating molecules that meet the conditions, without any additional training cost.

Generative Flow Networks (GFlowNets) have been introduced as a method to sample a diverse set of candidates with probabilities proportional to a given reward. However, GFlowNets can only be used with a predefined scalar reward, which can be either computationally expensive or not directly accessible, in the case of multi-objective optimization (MOO) tasks for example. Moreover, to prioritize identifying high-reward candidates, the conventional practice is to raise the reward to a higher exponent, the optimal choice of which may vary across different environments. To address these issues, we propose Order-Preserving GFlowNets (OP-GFNs), which sample with probabilities in proportion to a learned reward function that is consistent with a provided (partial) order on the candidates, thus eliminating the need for an explicit formulation of the reward function. We theoretically prove that the training process of OP-GFNs gradually sparsifies the learned reward landscape in single-objective maximization tasks. The sparsification concentrates on candidates of a higher hierarchy in the ordering, ensuring exploration at the beginning and exploitation towards the end of the training. We demonstrate OP-GFN's state-of-the-art performance in single-objective maximization (totally ordered) and multi-objective Pareto front approximation (partially ordered) tasks, including synthetic datasets, molecule generation, and neural architecture search.