Beyond Probability Partitions: Calibrating Neural Networks with Semantic Aware Grouping

Research has shown that deep networks tend to be overly optimistic about their predictions, leading to an underestimation of prediction errors. Due to the limited nature of data, existing studies have proposed various methods based on model prediction probabilities to bin the data and evaluate calibration error. We propose a more generalized definition of calibration error called Partitioned Calibration Error (PCE), revealing that the key difference among these calibration error metrics lies in how the data space is partitioned. We put forth an intuitive proposition that an accurate model should be calibrated across any partition, suggesting that the input space partitioning can extend beyond just the partitioning of prediction probabilities, and include partitions directly related to the input. Through semantic-related partitioning functions, we demonstrate that the relationship between model accuracy and calibration lies in the granularity of the partitioning function. This highlights the importance of partitioning criteria for training a calibrated and accurate model. To validate the aforementioned analysis, we propose a method that involves jointly learning a semantic aware grouping function based on deep model features and logits to partition the data space into subsets. Subsequently, a separate calibration function is learned for each subset. Experimental results demonstrate that our approach achieves significant performance improvements across multiple datasets and network architectures, thus highlighting the importance of the partitioning function for calibration.

Model Spider: Learning to Rank Pre-Trained Models Efficiently

Figuring out which Pre-Trained Model (PTM) from a model zoo fits the target task is essential to take advantage of plentiful model resources. With the availability of numerous heterogeneous PTMs from diverse fields, efficiently selecting the most suitable PTM is challenging due to the time-consuming costs of carrying out forward or backward passes over all PTMs. In this paper, we propose Model Spider, which tokenizes both PTMs and tasks by summarizing their characteristics into vectors to enable efficient PTM selection. By leveraging the approximated performance of PTMs on a separate set of training tasks, Model Spider learns to construct tokens and measure the fitness score between a model-task pair via their tokens. The ability to rank relevant PTMs higher than others generalizes to new tasks. With the top-ranked PTM candidates, we further learn to enrich task tokens with their PTM-specific semantics to re-rank the PTMs for better selection. Model Spider balances efficiency and selection ability, making PTM selection like a spider preying on a web. Model Spider demonstrates promising performance in various configurations of model zoos.

IDToolkit: A Toolkit for Benchmarking and Developing Inverse Design Algorithms in Nanophotonics

Aiding humans with scientific designs is one of the most exciting of artificial intelligence (AI) and machine learning (ML), due to their potential for the discovery of new drugs, design of new materials and chemical compounds, etc. However, scientific design typically requires complex domain knowledge that is not familiar to AI researchers. Further, scientific studies involve professional skills to perform experiments and evaluations. These obstacles prevent AI researchers from developing specialized methods for scientific designs. To take a step towards easy-to-understand and reproducible research of scientific design, we propose a benchmark for the inverse design of nanophotonic devices, which can be verified computationally and accurately. Specifically, we implemented three different nanophotonic design problems, namely a radiative cooler, a selective emitter for thermophotovoltaics, and structural color filters, all of which are different in design parameter spaces, complexity, and design targets. The benchmark environments are implemented with an open-source simulator. We further implemented 10 different inverse design algorithms and compared them in a reproducible and fair framework. The results revealed the strengths and weaknesses of existing methods, which shed light on several future directions for developing more efficient inverse design algorithms. Our benchmark can also serve as the starting point for more challenging scientific design problems. The code of IDToolkit is available at https://github.com/ThyrixYang/IDToolkit.

Learning without Forgetting for Vision-Language Models

Class-Incremental Learning (CIL) or continual learning is a desired capability in the real world, which requires a learning system to adapt to new tasks without forgetting former ones. While traditional CIL methods focus on visual information to grasp core features, recent advances in Vision-Language Models (VLM) have shown promising capabilities in learning generalizable representations with the aid of textual information. However, when continually trained with new classes, VLMs often suffer from catastrophic forgetting of former knowledge. Applying VLMs to CIL poses two major challenges: 1) how to adapt the model without forgetting; and 2) how to make full use of the multi-modal information. To this end, we propose PROjectiOn Fusion (PROOF) that enables VLMs to learn without forgetting. To handle the first challenge, we propose training task-specific projections based on the frozen image/text encoders. When facing new tasks, new projections are expanded and former projections are fixed, alleviating the forgetting of old concepts. For the second challenge, we propose the fusion module to better utilize the cross-modality information. By jointly adjusting visual and textual features, the model can capture semantic information with stronger representation ability. Extensive experiments on nine benchmark datasets validate PROOF achieves state-of-the-art performance.

MrTF: Model Refinery for Transductive Federated Learning

We consider a real-world scenario in which a newly-established pilot project needs to make inferences for newly-collected data with the help of other parties under privacy protection policies. Current federated learning (FL) paradigms are devoted to solving the data heterogeneity problem without considering the to-be-inferred data. We propose a novel learning paradigm named transductive federated learning (TFL) to simultaneously consider the structural information of the to-be-inferred data. On the one hand, the server could use the pre-available test samples to refine the aggregated models for robust model fusion, which tackles the data heterogeneity problem in FL. On the other hand, the refinery process incorporates test samples into training and could generate better predictions in a transductive manner. We propose several techniques including stabilized teachers, rectified distillation, and clustered label refinery to facilitate the model refinery process. Abundant experimental studies verify the superiorities of the proposed \underline{M}odel \underline{r}efinery framework for \underline{T}ransductive \underline{F}ederated learning (MrTF). The source code is available at \url{https://github.com/lxcnju/MrTF}.

Preserving Locality in Vision Transformers for Class Incremental Learning

Learning new classes without forgetting is crucial for real-world applications for a classification model. Vision Transformers (ViT) recently achieve remarkable performance in Class Incremental Learning (CIL). Previous works mainly focus on block design and model expansion for ViTs. However, in this paper, we find that when the ViT is incrementally trained, the attention layers gradually lose concentration on local features. We call this interesting phenomenon as \emph{Locality Degradation} in ViTs for CIL. Since the low-level local information is crucial to the transferability of the representation, it is beneficial to preserve the locality in attention layers. In this paper, we encourage the model to preserve more local information as the training procedure goes on and devise a Locality-Preserved Attention (LPA) layer to emphasize the importance of local features. Specifically, we incorporate the local information directly into the vanilla attention and control the initial gradients of the vanilla attention by weighting it with a small initial value. Extensive experiments show that the representations facilitated by LPA capture more low-level general information which is easier to transfer to follow-up tasks. The improved model gets consistently better performance on CIFAR100 and ImageNet100.

The Capacity and Robustness Trade-off: Revisiting the Channel Independent Strategy for Multivariate Time Series Forecasting

Multivariate time series data comprises various channels of variables. The multivariate forecasting models need to capture the relationship between the channels to accurately predict future values. However, recently, there has been an emergence of methods that employ the Channel Independent (CI) strategy. These methods view multivariate time series data as separate univariate time series and disregard the correlation between channels. Surprisingly, our empirical results have shown that models trained with the CI strategy outperform those trained with the Channel Dependent (CD) strategy, usually by a significant margin. Nevertheless, the reasons behind this phenomenon have not yet been thoroughly explored in the literature. This paper provides comprehensive empirical and theoretical analyses of the characteristics of multivariate time series datasets and the CI/CD strategy. Our results conclude that the CD approach has higher capacity but often lacks robustness to accurately predict distributionally drifted time series. In contrast, the CI approach trades capacity for robust prediction. Practical measures inspired by these analyses are proposed to address the capacity and robustness dilemma, including a modified CD method called Predict Residuals with Regularization (PRReg) that can surpass the CI strategy. We hope our findings can raise awareness among researchers about the characteristics of multivariate time series and inspire the construction of better forecasting models.

Revisiting Class-Incremental Learning with Pre-Trained Models: Generalizability and Adaptivity are All You Need

Class-incremental learning (CIL) aims to adapt to emerging new classes without forgetting old ones. Traditional CIL models are trained from scratch to continually acquire knowledge as data evolves. Recently, pre-training has achieved substantial progress, making vast pre-trained models (PTMs) accessible for CIL. Contrary to traditional methods, PTMs possess generalizable embeddings, which can be easily transferred. In this work, we revisit CIL with PTMs and argue that the core factors in CIL are adaptivity for model updating and generalizability for knowledge transferring. 1) We first reveal that frozen PTM can already provide generalizable embeddings for CIL. Surprisingly, a simple baseline (SimpleCIL) which continually sets the classifiers of PTM to prototype features can beat state-of-the-art even without training on the downstream task. 2) Due to the distribution gap between pre-trained and downstream datasets, PTM can be further cultivated with adaptivity via model adapting. We propose ADapt And Merge (ADAM), which aggregates the embeddings of PTM and adapted models for classifier construction. ADAM is a general framework that can be orthogonally combined with any parameter-efficient tuning method, which holds the advantages of PTM's generalizability and adapted model's adaptivity. 3) Additionally, we find previous benchmarks are unsuitable in the era of PTM due to data overlapping and propose four new benchmarks for assessment, namely ImageNet-A, ObjectNet, OmniBenchmark, and VTAB. Extensive experiments validate the effectiveness of ADAM with a unified and concise framework.

Deep Class-Incremental Learning: A Survey

Deep models, e.g., CNNs and Vision Transformers, have achieved impressive achievements in many vision tasks in the closed world. However, novel classes emerge from time to time in our ever-changing world, requiring a learning system to acquire new knowledge continually. For example, a robot needs to understand new instructions, and an opinion monitoring system should analyze emerging topics every day. Class-Incremental Learning (CIL) enables the learner to incorporate the knowledge of new classes incrementally and build a universal classifier among all seen classes. Correspondingly, when directly training the model with new class instances, a fatal problem occurs -- the model tends to catastrophically forget the characteristics of former ones, and its performance drastically degrades. There have been numerous efforts to tackle catastrophic forgetting in the machine learning community. In this paper, we survey comprehensively recent advances in deep class-incremental learning and summarize these methods from three aspects, i.e., data-centric, model-centric, and algorithm-centric. We also provide a rigorous and unified evaluation of 16 methods in benchmark image classification tasks to find out the characteristics of different algorithms empirically. Furthermore, we notice that the current comparison protocol ignores the influence of memory budget in model storage, which may result in unfair comparison and biased results. Hence, we advocate fair comparison by aligning the memory budget in evaluation, as well as several memory-agnostic performance measures. The source code to reproduce these evaluations is available at https://github.com/zhoudw-zdw/CIL_Survey/

On Pseudo-Labeling for Class-Mismatch Semi-Supervised Learning

When there are unlabeled Out-Of-Distribution (OOD) data from other classes, Semi-Supervised Learning (SSL) methods suffer from severe performance degradation and even get worse than merely training on labeled data. In this paper, we empirically analyze Pseudo-Labeling (PL) in class-mismatched SSL. PL is a simple and representative SSL method that transforms SSL problems into supervised learning by creating pseudo-labels for unlabeled data according to the model's prediction. We aim to answer two main questions: (1) How do OOD data influence PL? (2) What is the proper usage of OOD data with PL? First, we show that the major problem of PL is imbalanced pseudo-labels on OOD data. Second, we find that OOD data can help classify In-Distribution (ID) data given their OOD ground truth labels. Based on the findings, we propose to improve PL in class-mismatched SSL with two components -- Re-balanced Pseudo-Labeling (RPL) and Semantic Exploration Clustering (SEC). RPL re-balances pseudo-labels of high-confidence data, which simultaneously filters out OOD data and addresses the imbalance problem. SEC uses balanced clustering on low-confidence data to create pseudo-labels on extra classes, simulating the process of training with ground truth. Experiments show that our method achieves steady improvement over supervised baseline and state-of-the-art performance under all class mismatch ratios on different benchmarks.