Solving Expensive Optimization Problems in Dynamic Environments with Meta-learning

Dynamic environments pose great challenges for expensive optimization problems, as the objective functions of these problems change over time and thus require remarkable computational resources to track the optimal solutions. Although data-driven evolutionary optimization and Bayesian optimization (BO) approaches have shown promise in solving expensive optimization problems in static environments, the attempts to develop such approaches in dynamic environments remain rarely unexplored. In this paper, we propose a simple yet effective meta-learning-based optimization framework for solving expensive dynamic optimization problems. This framework is flexible, allowing any off-the-shelf continuously differentiable surrogate model to be used in a plug-in manner, either in data-driven evolutionary optimization or BO approaches. In particular, the framework consists of two unique components: 1) the meta-learning component, in which a gradient-based meta-learning approach is adopted to learn experience (effective model parameters) across different dynamics along the optimization process. 2) the adaptation component, where the learned experience (model parameters) is used as the initial parameters for fast adaptation in the dynamic environment based on few shot samples. By doing so, the optimization process is able to quickly initiate the search in a new environment within a strictly restricted computational budget. Experiments demonstrate the effectiveness of the proposed algorithm framework compared to several state-of-the-art algorithms on common benchmark test problems under different dynamic characteristics.

HoneyBee: Progressive Instruction Finetuning of Large Language Models for Materials Science

We propose an instruction-based process for trustworthy data curation in materials science (MatSci-Instruct), which we then apply to finetune a LLaMa-based language model targeted for materials science (HoneyBee). MatSci-Instruct helps alleviate the scarcity of relevant, high-quality materials science textual data available in the open literature, and HoneyBee is the first billion-parameter language model specialized to materials science. In MatSci-Instruct we improve the trustworthiness of generated data by prompting multiple commercially available large language models for generation with an Instructor module (e.g. Chat-GPT) and verification from an independent Verifier module (e.g. Claude). Using MatSci-Instruct, we construct a dataset of multiple tasks and measure the quality of our dataset along multiple dimensions, including accuracy against known facts, relevance to materials science, as well as completeness and reasonableness of the data. Moreover, we iteratively generate more targeted instructions and instruction-data in a finetuning-evaluation-feedback loop leading to progressively better performance for our finetuned HoneyBee models. Our evaluation on the MatSci-NLP benchmark shows HoneyBee's outperformance of existing language models on materials science tasks and iterative improvement in successive stages of instruction-data refinement. We study the quality of HoneyBee's language modeling through automatic evaluation and analyze case studies to further understand the model's capabilities and limitations. Our code and relevant datasets are publicly available at \url{https://github.com/BangLab-UdeM-Mila/NLP4MatSci-HoneyBee}.

AG-CRC: Anatomy-Guided Colorectal Cancer Segmentation in CT with Imperfect Anatomical Knowledge

When delineating lesions from medical images, a human expert can always keep in mind the anatomical structure behind the voxels. However, although high-quality (though not perfect) anatomical information can be retrieved from computed tomography (CT) scans with modern deep learning algorithms, it is still an open problem how these automatically generated organ masks can assist in addressing challenging lesion segmentation tasks, such as the segmentation of colorectal cancer (CRC). In this paper, we develop a novel Anatomy-Guided segmentation framework to exploit the auto-generated organ masks to aid CRC segmentation from CT, namely AG-CRC. First, we obtain multi-organ segmentation (MOS) masks with existing MOS models (e.g., TotalSegmentor) and further derive a more robust organ of interest (OOI) mask that may cover most of the colon-rectum and CRC voxels. Then, we propose an anatomy-guided training patch sampling strategy by optimizing a heuristic gain function that considers both the proximity of important regions (e.g., the tumor or organs of interest) and sample diversity. Third, we design a novel self-supervised learning scheme inspired by the topology of tubular organs like the colon to boost the model performance further. Finally, we employ a masked loss scheme to guide the model to focus solely on the essential learning region. We extensively evaluate the proposed method on two CRC segmentation datasets, where substantial performance improvement (5% to 9% in Dice) is achieved over current state-of-the-art medical image segmentation models, and the ablation studies further evidence the efficacy of every proposed component.

Symbolic Music Representations for Classification Tasks: A Systematic Evaluation

Music Information Retrieval (MIR) has seen a recent surge in deep learning-based approaches, which often involve encoding symbolic music (i.e., music represented in terms of discrete note events) in an image-like or language like fashion. However, symbolic music is neither an image nor a sentence, and research in the symbolic domain lacks a comprehensive overview of the different available representations. In this paper, we investigate matrix (piano roll), sequence, and graph representations and their corresponding neural architectures, in combination with symbolic scores and performances on three piece-level classification tasks. We also introduce a novel graph representation for symbolic performances and explore the capability of graph representations in global classification tasks. Our systematic evaluation shows advantages and limitations of each input representation. Our results suggest that the graph representation, as the newest and least explored among the three approaches, exhibits promising performance, while being more light-weight in training.

DiffSmooth: Certifiably Robust Learning via Diffusion Models and Local Smoothing

Diffusion models have been leveraged to perform adversarial purification and thus provide both empirical and certified robustness for a standard model. On the other hand, different robustly trained smoothed models have been studied to improve the certified robustness. Thus, it raises a natural question: Can diffusion model be used to achieve improved certified robustness on those robustly trained smoothed models? In this work, we first theoretically show that recovered instances by diffusion models are in the bounded neighborhood of the original instance with high probability; and the "one-shot" denoising diffusion probabilistic models (DDPM) can approximate the mean of the generated distribution of a continuous-time diffusion model, which approximates the original instance under mild conditions. Inspired by our analysis, we propose a certifiably robust pipeline DiffSmooth, which first performs adversarial purification via diffusion models and then maps the purified instances to a common region via a simple yet effective local smoothing strategy. We conduct extensive experiments on different datasets and show that DiffSmooth achieves SOTA-certified robustness compared with eight baselines. For instance, DiffSmooth improves the SOTA-certified accuracy from $36.0\%$ to $53.0\%$ under $\ell_2$ radius $1.5$ on ImageNet. The code is available at [https://github.com/javyduck/DiffSmooth].

Robust Mixture-of-Expert Training for Convolutional Neural Networks

Sparsely-gated Mixture of Expert (MoE), an emerging deep model architecture, has demonstrated a great promise to enable high-accuracy and ultra-efficient model inference. Despite the growing popularity of MoE, little work investigated its potential to advance convolutional neural networks (CNNs), especially in the plane of adversarial robustness. Since the lack of robustness has become one of the main hurdles for CNNs, in this paper we ask: How to adversarially robustify a CNN-based MoE model? Can we robustly train it like an ordinary CNN model? Our pilot study shows that the conventional adversarial training (AT) mechanism (developed for vanilla CNNs) no longer remains effective to robustify an MoE-CNN. To better understand this phenomenon, we dissect the robustness of an MoE-CNN into two dimensions: Robustness of routers (i.e., gating functions to select data-specific experts) and robustness of experts (i.e., the router-guided pathways defined by the subnetworks of the backbone CNN). Our analyses show that routers and experts are hard to adapt to each other in the vanilla AT. Thus, we propose a new router-expert alternating Adversarial training framework for MoE, termed AdvMoE. The effectiveness of our proposal is justified across 4 commonly-used CNN model architectures over 4 benchmark datasets. We find that AdvMoE achieves 1% ~ 4% adversarial robustness improvement over the original dense CNN, and enjoys the efficiency merit of sparsity-gated MoE, leading to more than 50% inference cost reduction. Codes are available at https://github.com/OPTML-Group/Robust-MoE-CNN.

Improving the Generalization Ability in Essay Coherence Evaluation through Monotonic Constraints

Coherence is a crucial aspect of evaluating text readability and can be assessed through two primary factors when evaluating an essay in a scoring scenario. The first factor is logical coherence, characterized by the appropriate use of discourse connectives and the establishment of logical relationships between sentences. The second factor is the appropriateness of punctuation, as inappropriate punctuation can lead to confused sentence structure. To address these concerns, we propose a coherence scoring model consisting of a regression model with two feature extractors: a local coherence discriminative model and a punctuation correction model. We employ gradient-boosting regression trees as the regression model and impose monotonicity constraints on the input features. The results show that our proposed model better generalizes unseen data. The model achieved third place in track 1 of NLPCC 2023 shared task 7. Additionally, we briefly introduce our solution for the remaining tracks, which achieves second place for track 2 and first place for both track 3 and track 4.

Can Agents Run Relay Race with Strangers? Generalization of RL to Out-of-Distribution Trajectories

In this paper, we define, evaluate, and improve the ``relay-generalization'' performance of reinforcement learning (RL) agents on the out-of-distribution ``controllable'' states. Ideally, an RL agent that generally masters a task should reach its goal starting from any controllable state of the environment instead of memorizing a small set of trajectories. For example, a self-driving system should be able to take over the control from humans in the middle of driving and must continue to drive the car safely. To practically evaluate this type of generalization, we start the test agent from the middle of other independently well-trained \emph{stranger} agents' trajectories. With extensive experimental evaluation, we show the prevalence of \emph{generalization failure} on controllable states from stranger agents. For example, in the Humanoid environment, we observed that a well-trained Proximal Policy Optimization (PPO) agent, with only 3.9\% failure rate during regular testing, failed on 81.6\% of the states generated by well-trained stranger PPO agents. To improve "relay generalization," we propose a novel method called Self-Trajectory Augmentation (STA), which will reset the environment to the agent's old states according to the Q function during training. After applying STA to the Soft Actor Critic's (SAC) training procedure, we reduced the failure rate of SAC under relay-evaluation by more than three times in most settings without impacting agent performance and increasing the needed number of environment interactions. Our code is available at https://github.com/lan-lc/STA.

Queer In AI: A Case Study in Community-Led Participatory AI

We present Queer in AI as a case study for community-led participatory design in AI. We examine how participatory design and intersectional tenets started and shaped this community's programs over the years. We discuss different challenges that emerged in the process, look at ways this organization has fallen short of operationalizing participatory and intersectional principles, and then assess the organization's impact. Queer in AI provides important lessons and insights for practitioners and theorists of participatory methods broadly through its rejection of hierarchy in favor of decentralization, success at building aid and programs by and for the queer community, and effort to change actors and institutions outside of the queer community. Finally, we theorize how communities like Queer in AI contribute to the participatory design in AI more broadly by fostering cultures of participation in AI, welcoming and empowering marginalized participants, critiquing poor or exploitative participatory practices, and bringing participation to institutions outside of individual research projects. Queer in AI's work serves as a case study of grassroots activism and participatory methods within AI, demonstrating the potential of community-led participatory methods and intersectional praxis, while also providing challenges, case studies, and nuanced insights to researchers developing and using participatory methods.