Continual learning seeks to enable a model to assimilate knowledge from nonstationary data streams without catastrophic forgetting. Recently, methods based on Parameter-Efficient Tuning (PET) have achieved superior performance without even storing any historical exemplars, which train much fewer specific parameters for each task upon a frozen pre-trained model, and tailored parameters are retrieved to guide predictions during inference. However, reliance solely on pretrained features for parameter matching exacerbates the inconsistency between the training and inference phases, thereby constraining the overall performance. To address this issue, we propose HRM-PET, which makes full use of the richer downstream knowledge inherently contained in the trained parameters. Specifically, we introduce a hybrid re-matching mechanism, which benefits from the initial predicted distribution to facilitate the parameter selections. The direct rematching addresses misclassified samples identified with correct task identity in prediction, despite incorrect initial matching. Moreover, the confidence-based re-matching is specifically designed to handle other more challenging mismatched samples that cannot be calibrated by the former. Besides, to acquire task-invariant knowledge for better matching, we integrate a cross-task instance relationship distillation module into the PET-based method. Extensive experiments conducted on four datasets under five pre-trained settings demonstrate that HRM-PET performs favorably against the state-of-the-art methods.

Diffusion models excel at capturing the natural design spaces of images, molecules, and biological sequences. However, for many applications, rather than merely generating designs that are natural, we aim to optimize downstream reward functions while preserving the naturalness of these design spaces. Existing methods for achieving this goal often require "differentiable" proxy models (e.g., classifier guidance) or computationally-expensive fine-tuning of diffusion models (e.g., classifier-free guidance, RL-based fine-tuning). Here, we propose a new method, Soft Value-based Decoding in Diffusion models (SVDD), to address these challenges. SVDD is an iterative sampling method that integrates soft value functions, which looks ahead to how intermediate noisy states lead to high rewards in the future, into the standard inference procedure of pre-trained diffusion models. Notably, SVDD avoids fine-tuning generative models and eliminates the need to construct differentiable models. This enables us to (1) directly use non-differentiable features/reward feedback, commonly used in many scientific domains, and (2) apply our method to recent discrete diffusion models in a principled way. Finally, we demonstrate the effectiveness of SVDD across several domains, including image generation, molecule generation (optimization of docking scores, QED, SA), and DNA/RNA generation (optimization of activity levels). The code is available at https://github.com/masa-ue/SVDD.

Using pre-trained models has been found to reduce the effect of data heterogeneity and speed up federated learning algorithms. Recent works have explored trainingfree methods using first-and second-order statistics to aggregate local client data distributions at the server and achieve high performance without any training. In this work, we propose a training-free method based on an unbiased estimator of class covariance matrices which only uses first-order statistics in the form of class means communicated by clients to the server. We show how these estimated class covariances can be used to initialize the global classifier, thus exploiting the covariances without actually sharing them. We also show that using only withinclass covariances results in a better classifier initialization. Our approach improves performance in the range of 4-26% with exactly the same communication cost when compared to methods sharing only class means and achieves performance competitive or superior to methods sharing second-order statistics with dramatically less communication overhead. The proposed method is much more communicationefficient than federated prompt-tuning methods and still outperforms them. Finally, using our method to initialize classifiers and then performing federated fine-tuning or linear probing again yields better performance.

Foundation Models (FMs) have demonstrated remarkable success in fields like computer vision and natural language processing, yet their application to combinatorial optimization remains underexplored. Optimization problems, often modeled as graphs, pose unique challenges due to their diverse structures, varying distributions, and NP-hard complexity. To address these challenges, we propose OPTFM, the first graph foundation model for general combinatorial optimization. OPTFM introduces a scalable multi-view graph transformer with hybrid self-attention and cross-attention to model large-scale heterogeneous graphs in O(N)time complexity while maintaining semantic consistency throughout the attention computation.

With the increasing number of time series pre-trained models, designing transferability evaluation metrics for time series has become an urgent problem to address. While transferability evaluation has been extensively studied in computer vision, we aim to address a critical gap by developing tailored metrics for time series analysis. In this paper, we introduce TEMPLATE, a transferability estimation framework specifically tailored for versatile time series analysis, comprising three complementary metrics: (1) Dependency Learning Score quantifies a model's capacity to capture temporal dependencies.

Transferability estimation identifies the best pre-trained models for downstream tasks without incurring the high computational cost of full fine-tuning.

Large language models are increasingly customized through fine-tuning and other adaptations, creating challenges in enforcing licensing terms and managing downstream impacts such as protecting intellectual property or identifying vulnerabilities. We address this challenge by developing a framework for testing model provenance. Our approach is based on the key observation that real-world model derivations preserve significant similarities in model outputs that can be detected through statistical analysis. Using only black-box access to models, we employ multiple hypothesis testing to compare model similarities against a baseline established by unrelated models. On two comprehensive real-world benchmarks spanning models from 30M to 4B parameters and comprising over 600 models, our tester achieves 90 95% precision and 80 90% recall in identifying derived models. These results demonstrate the viability of systematic provenance verification in production environments even when only API access is available.

Continual learning aims to learn multiple tasks sequentially while preserving prior knowledge, but faces the challenge of catastrophic forgetting when adapting to new tasks. Recently, approaches leveraging pre-trained models have gained increasing popularity in mitigating this issue, due to the strong generalization ability of foundation models. To adjust pre-trained models for new tasks, existing methods usually employ low-rank adaptation, which restricts parameter updates to a fixed low-rank subspace. However, constraining the optimization space inherently compromises the model's learning capacity, resulting in inferior performance. To address this limitation, we propose Continuous Subspace Optimization for Continual Learning (CoSO) to fine-tune the model in a series of subspaces rather than a single one. These sequential subspaces are dynamically determined through the singular value decomposition of the gradients.

The softmax-contaminated mixture of experts (MoE) model is deployed when a large-scale pre-trained model, which plays the role of a fixed expert, is fine-tuned for learning downstream tasks by including a new contamination part, or prompt, functioning as a new, trainable expert. Despite its popularity and relevance, the theoretical properties of the softmax-contaminated MoE have remained unexplored in the literature. In the paper, we study the convergence rates of the maximum likelihood estimator of gating and prompt parameters in order to gain insights into the statistical properties and potential challenges of fine-tuning with a new prompt. We find that the estimability of these parameters is compromised when the prompt acquires overlapping knowledge with the pre-trained model, in the sense that we make precise by formulating a novel analytic notion of distinguishability. Under distinguishability of the pre-trained and prompt models, we derive minimax optimal estimation rates for all the gating and prompt parameters. By contrast, when the distinguishability condition is violated, these estimation rates become significantly slower due to their dependence on the prompt convergence rate to the pre-trained model. Finally, we empirically corroborate our theoretical findings through several numerical experiments.

Predicting interactions between biochemical entities is a core challenge in drug discovery and systems biology, often hindered by limited data and poor generalization to unseen entities. Traditional discriminative models frequently underperform in such settings. We propose BioCG (Biochemical Constrained Generation), a novel framework that reformulates interaction prediction as a constrained sequence generation task. BioCG encodes target entities as unique discrete sequences via Iterative Residual Vector Quantization (I-RVQ) and trains a generative model to produce the sequence of an interacting partner given a query entity. A trie-guided constrained decoding mechanism, built from a catalog of valid target sequences, concentrates the model's learning on the critical distinctions between valid biochemical options, ensuring all outputs correspond to an entity within the pre-defined target catalog. An information-weighted training objective further focuses learning on the most critical decision points. BioCG achieves state-of-the-art (SOTA) performance across diverse tasks, Drug-Target Interaction (DTI), Drug-Drug Interaction (DDI), and Enzyme-Reaction Prediction, especially in data-scarce and cold-start conditions.