60 accepted papers
Recent advances in image generation have been largely driven by image tokenization, which compresses raw pixels into compact latent representations. While existing tokenizers excel at preserving low-level visual details through reconstruction-based training, they often lack explicit semantic guidanc…
Vision learners often struggle with catastrophic forgetting due to their reliance on class recognition by comparison, rather than understanding classes as compositions of representative concepts. This limitation is prevalent even in state-of-the-art continual learners with foundation models and wor…
Multi-step retrosynthesis planning is a fundamental challenge in organic chemistry, defined by its enormous search space. Existing methods typically formulate it as a Markov Decision Process (MDP) with a fixed choice of transition model (i.e., a single-step retrosynthesis model), and focus on improv…
Chain-of-thought (CoT) reasoning has become the standard paradigm for enabling Large Language Models (LLMs) to solve complex problems. However, recent studies reveal a sharp performance drop in *reasoning hop generalization* scenarios, where the required number of reasoning steps exceeds training di…
Model editing has become a *de-facto* practice to address hallucinations and outdated knowledge of large language models (LLMs). However, existing methods are predominantly evaluated in isolation, i.e., one edit at a time, failing to consider a critical scenario of compositional model editing, where…
High-quality preference data is essential for aligning foundation models with human values through preference learning. However, manual annotation of such data is often time-consuming and costly. Recent methods often adopt a self-rewarding approach, where the target model generates and annotates its…
We present Sparse Interpolated Mixture-of-Experts (SIMoE) instruction-tuning, an end-to-end algorithm designed to fine-tune a dense pre-trained Large Language Model (LLM) into a MoE-style model that possesses capabilities in multiple specialized domains. During instruction-tuning, SIMoE automaticall…
The emergence of the foundation model era has sparked immense research interest in utilizing pre-trained representations for continual learning~(CL), yielding a series of strong CL methods with outstanding performance on standard evaluation benchmarks. Nonetheless, there are growing concerns regardi…
Recent self-rewarding large language models (LLM) have successfully applied LLM-as-a-Judge to iteratively improve the alignment performance without the need of human annotations for preference data. These methods commonly utilize the same LLM to act as both the policy model (which generates response…
Low-rank adaptation (LoRA) has emerged as a leading parameter-efficient fine-tuning technique for adapting large foundation models, yet it often locks adapters into suboptimal minima near their initialization. This hampers model generalization and limits downstream operators such as adapter merging…
The emergence of large language models (LLMs) has opened new opportunities for AI-driven chemical problem solving. However, existing chemical LLMs are typically tailored to specific task formats or narrow domains, limiting their capacity to integrate knowledge and generalize across tasks. Model merg…
Selecting a compact subset of visual instruction–following data has emerged as an effective way to align large multimodal models with human intentions while avoiding the high cost of full-dataset training. Yet we observe that both full-data training and existing state-of-the-art data selection metho…
The rapid advancements in Large Language Models (LLMs) and Large Visual-Language Models (LVLMs) have opened up new opportunities for integrating visual and linguistic modalities. Yet, challenges remain in aligning these modalities effectively, causing issues such as hallucinations, where generated o
Although text-to-image (T2I) models have recently thrived as visual generative priors, their reliance on high-quality text-image pairs makes scaling up expensive. We argue that grasping the cross-modality alignment is not a necessity for a sound visual generative prior, whose focus should be on text…
Accurately modeling chemical reactions using Artificial Intelligence (AI) can accelerate discovery and development, especially in fields like drug design and material science. Although AI has made remarkable advancements in single molecule recognition, such as predicting molecular properties, the st…
Continual Learning (CL) with foundation models has recently emerged as a promising paradigm to exploit abundant knowledge acquired during pre-training for tackling sequential tasks. However, existing prompt-based and Low-Rank Adaptation-based (LoRA-based) methods often require expanding a prompt/LoR…
Catastrophic forgetting (CF) poses a significant challenge in machine learning, where a model forgets previously learned information upon learning new tasks. Despite the advanced capabilities of Large Language Models (LLMs), they continue to face challenges with CF during continual learning. The ma…
Recent advances in reasoning with large language models (LLMs) have popularized Long Chain-of-Thought (LCoT), a strategy that encourages deliberate and step-by-step reasoning before producing a final answer. While LCoTs have enabled expert-level performance in complex tasks, how the internal structu
Retrosynthetic planning is a sequential decision-making process of identifying synthetic routes from the available building block materials to reach a desired target molecule. Though existing planning approaches show promisingly high solving rates and low costs, the trivial route cost evaluation via…
Compositional generalization, representing the model’s ability to generate text with new attribute combinations obtained by recombining single attributes from the training data, is a crucial property for multi-aspect controllable text generation (MCTG) methods. Nonetheless, a comprehensive compositi…
Quantization of large language models (LLMs) faces significant challenges, particularly due to the presence of outlier activations that impede efficient low-bit representation. Traditional approaches predominantly address Normal Outliers, which are activations across all tokens with relatively large…
In Federated Continual Learning (FCL), the challenge lies in effectively facilitating knowledge transfer and enhancing the performance across various tasks on different clients. Current FCL methods predominantly focus on avoiding interference between tasks, thereby overlooking the potential for posi…
Domain shift degrades classification models on new data distributions. Conventional unsupervised domain adaptation (UDA) aims to learn features that bridge labeled source and unlabeled target domains. In contrast to feature learning, gradual domain adaptation (GDA) leverages extra continuous interme…
Model editing aims to data-efficiently correct predictive errors of large pre-trained models while ensuring generalization to neighboring failures and locality to minimize unintended effects on unrelated examples. While significant progress has been made in editing Transformer-based large language m…
Regularization-based methods have so far been among the *de facto* choices for continual learning. Recent theoretical studies have revealed that these methods all boil down to relying on the Hessian matrix approximation of model weights. However, these methods suffer from suboptimal trade-offs betw…
Catastrophic forgetting remains a core challenge in continual learning (CL), where the models struggle to retain previous knowledge when learning new tasks. While existing replay-based CL methods have been proposed to tackle this challenge by utilizing a memory buffer to store data from previous tas…
Large Language Models (LLMs) have recently revolutionized the NLP field, while they still fall short in some specific down-stream tasks. In the work, we focus on utilizing LLMs to perform machine translation, where we observe that two patterns of errors frequently occur and drastically affect the tr…
This paper introduces AMT, an \textbf{A}dversarial \textbf{M}eta-\textbf{T}uning methodology, to boost the robust generalization of pre-trained models in the out-of-domain (OOD) few-shot learning. To address the challenge of transferring knowledge from source domains to unseen target domains, we con…
Vision-language pre-trained models have achieved impressive performance on various downstream tasks. However their large model sizes hinder their utilization on platforms with limited computational resources. We find that directly using smaller pre-trained models and applying magnitude-based pruning…
Pre-trained vision transformers have revolutionized few-shot image classification, and it has been recently demonstrated that the previous common practice of meta-learning in synergy with these pre-trained transformers still holds significance. In this work, we design a new framework centered exclus…
Machine learning-assisted retrosynthesis prediction models have been gaining widespread adoption, though their performances oftentimes degrade significantly when deployed in real-world applications embracing out-of-distribution (OOD) molecules or reactions. Despite steady progress on standard benchm…
Large-scale diffusion models are adept at generating high-fidelity images and facilitating image editing and interpolation. However, they have limitations when tasked with generating images in dynamic, evolving domains. In this paper, we introduce Terra, a novel Time-varying low-rank adapter that of…
LLMs have marked a revolutonary shift, yet they falter when faced with compositional reasoning tasks. Our research embarks on a quest to uncover the root causes of compositional reasoning failures of LLMs, uncovering that most of them stem from the improperly generated or leveraged implicit reasonin…
Recent successes suggest that parameter-efficient fine-tuning of foundation models is becoming the state-of-the-art method for transfer learning in vision, gradually replacing the rich literature of alternatives such as meta-learning. In trying to harness the best of both worlds, meta-tuning introdu…
We aim at advancing blind image quality assessment (BIQA), which predicts the human perception of image quality without any reference information. We develop a general and automated multitask learning scheme for BIQA to exploit auxiliary knowledge from other tasks, in a way that the model parameter…
Open-world object detection (OWOD), as a more general and challenging goal, requires the model trained from data on known objects to detect both known and unknown objects and incrementally learn to identify these unknown objects. The existing works which employ standard detection framework and fixed…
A multitude of prevalent pre-trained models mark a major milestone in the development of artificial intelligence, while fine-tuning has been a common practice that enables pre-trained models to figure prominently in a wide array of target datasets. Our empirical results reveal that off-the-shelf fin…
Compositionality facilitates the comprehension of novel objects using acquired concepts and the maintenance of a knowledge pool. This is particularly crucial for continual learners to prevent catastrophic forgetting and enable compositionally forward transfer of knowledge. However, the existing stat…
Retrosynthesis aided by artificial intelligence has been a very active and bourgeoning area of research, for its critical role in drug discovery as well as material science. Three categories of solutions, i.e., template-based, template-free, and semi-template methods, constitute mainstream solutions…
Despite the rising prevalence of neural sequence models, recent empirical evidences suggest their deficiency in compositional generalization. One of the current de-facto solutions to this problem is compositional data augmentation, aiming to incur additional compositional inductive bias. Nonetheless…
Document-level NER approaches use global information via word-based key-value memory for accurate and consistent predictions. However, such global information on word level can introduce noise when the same word appears in different token sequences and has different labels. This work proposes a two-…
The success of meta-learning on out-of-distribution (OOD) tasks in the wild has proved to be hit-and-miss. To safeguard the generalization capability of the meta-learned prior knowledge to OOD tasks, in particularly safety-critical applications, necessitates detection of an OOD task followed by adap…
Continual pre-training has been urgent for adapting a pre-trained model to a multitude of domains and tasks in the fast-evolving world. In practice, a continually pre-trained model is expected to demonstrate not only greater capacity when fine-tuned on pre-trained domains but also a non-decreasing p…
Learning function-on-scalar predictive models for conditional densities and identifying factors that influence the entire probability distribution are vital tasks in many data-driven applications. We present an efficient Majorization-Minimization optimization algorithm, Wasserstein Distributional Le…
The success of meta-learning on existing benchmarks is predicated on the assumption that the distribution of meta-training tasks covers meta-testing tasks. Frequent violation of the assumption in applications with either insufficient tasks or a very narrow meta-training task distribution leads to me…
Few-Shot Text Classification (FSTC) imitates humans to learn a new text classifier efficiently with only few examples, by leveraging prior knowledge from historical tasks. However, most prior works assume that all the tasks are sampled from a single data source, which cannot adapt to real-world scen…
Transferability estimation has been an essential tool in selecting a pre-trained model and the layers in it for transfer learning, to transfer, so as to maximize the performance on a target task and prevent negative transfer. Existing estimation algorithms either require intensive training on target…
Retrosynthetic planning occupies a crucial position in synthetic chemistry and, accordingly, drug discovery, which aims to find synthetic pathways of a target molecule through a sequential decision-making process on a set of feasible reactions. While the majority of recent works focus on the predict…
Recent years have witnessed the rapid development of meta-learning in improving the meta generalization over tasks in few-shot learning. However, the task-specific level generalization is overlooked in most algorithms. For a novel few-shot learning task where the empirical distribution likely devia…
Meta-learning has emerged as a potent paradigm for quick learning of few-shot tasks, by leveraging the meta-knowledge learned from meta-training tasks. Well-generalized meta-knowledge that facilitates fast adaptation in each task is preferred; however, recent evidence suggests the undesirable memori…
More recently, there has been a surge of interest in employing machine learning approaches to expedite the drug discovery process where virtual screening for hit discovery and ADMET prediction for lead optimization play essential roles. One of the main obstacles to the wide success of machine learni…
Meta-learning has proven to be a powerful paradigm for transferring the knowledge from previous tasks to facilitate the learning of a novel task. Current dominant algorithms train a well-generalized model initialization which is adapted to each task via the support set. The crux lies in optimizing t…
The surrogate that predicts the performance of hyperparameters has been a key component for sequential model-based hyperparameter optimization. In practical applications, a trial of a hyper-parameter configuration may be so costly that a surrogate is expected to return an optimal configuration with…
To benefit the learning of a new task, meta-learning has been proposed to transfer a well-generalized meta-model learned from various meta-training tasks. Existing meta-learning algorithms randomly sample meta-training tasks with a uniform probability, under the assumption that tasks are of equal im…
Sequence labeling aims to predict a fine-grained sequence of labels for the text. However, such formulation hinders the effectiveness of supervised methods due to the lack of token-level annotated data. This is exacerbated when we meet a diverse range of languages. In this work, we explore multiling…
Many approaches have been proposed for time series forecasting, in light of its significance in wide applications including business demand prediction. However, the existing methods suffer from two key limitations. Firstly, most point prediction models only predict an exact value of each time step…
How to obtain informative representations of molecules is a crucial prerequisite in AI-driven drug design and discovery. Recent researches abstract molecules as graphs and employ Graph Neural Networks (GNNs) for molecular representation learning. Nevertheless, two issues impede the usage of GNNs in…
In order to learn quickly with few samples, meta-learning utilizes prior knowledge learned from previous tasks. However, a critical challenge in meta-learning is task uncertainty and heterogeneity, which can not be handled via globally sharing knowledge among tasks. In this paper, based on gradient-…
Multitask learning has shown promising performance in many applications and many multitask models have been proposed. In order to identify an effective multitask model for a given multitask problem, we propose a learning framework called Learning to MultiTask (L2MT). To achieve the goal, L2MT exploi…
In transfer learning, what and how to transfer are two primary issues to be addressed, as different transfer learning algorithms applied between a source and a target domain result in different knowledge transferred and thereby the performance improvement in the target domain. Determining the optima…