Physics-Driven Learning for Inverse Problems in Quantum Chromodynamics

The integration of deep learning techniques and physics-driven designs is reforming the way we address inverse problems, in which accurate physical properties are extracted from complex data sets. This is particularly relevant for quantum chromodynamics (QCD), the theory of strong interactions, with its inherent limitations in observational data and demanding computational approaches. This perspective highlights advances and potential of physics-driven learning methods, focusing on predictions of physical quantities towards QCD physics, and drawing connections to machine learning(ML). It is shown that the fusion of ML and physics can lead to more efficient and reliable problem-solving strategies. Key ideas of ML, methodology of embedding physics priors, and generative models as inverse modelling of physical probability distributions are introduced. Specific applications cover first-principle lattice calculations, and QCD physics of hadrons, neutron stars, and heavy-ion collisions. These examples provide a structured and concise overview of how incorporating prior knowledge such as symmetry, continuity and equations into deep learning designs can address diverse inverse problems across different physical sciences.

Implementing Trust in Non-Small Cell Lung Cancer Diagnosis with a Conformalized Uncertainty-Aware AI Framework in Whole-Slide Images

Ensuring trustworthiness is fundamental to the development of artificial intelligence (AI) that is considered societally responsible, particularly in cancer diagnostics, where a misdiagnosis can have dire consequences. Current digital pathology AI models lack systematic solutions to address trustworthiness concerns arising from model limitations and data discrepancies between model deployment and development environments. To address this issue, we developed TRUECAM, a framework designed to ensure both data and model trustworthiness in non-small cell lung cancer subtyping with whole-slide images. TRUECAM integrates 1) a spectral-normalized neural Gaussian process for identifying out-of-scope inputs and 2) an ambiguity-guided elimination of tiles to filter out highly ambiguous regions, addressing data trustworthiness, as well as 3) conformal prediction to ensure controlled error rates. We systematically evaluated the framework across multiple large-scale cancer datasets, leveraging both task-specific and foundation models, illustrate that an AI model wrapped with TRUECAM significantly outperforms models that lack such guidance, in terms of classification accuracy, robustness, interpretability, and data efficiency, while also achieving improvements in fairness. These findings highlight TRUECAM as a versatile wrapper framework for digital pathology AI models with diverse architectural designs, promoting their responsible and effective applications in real-world settings.

CharGen: High Accurate Character-Level Visual Text Generation Model with MultiModal Encoder

Recently, significant advancements have been made in diffusion-based visual text generation models. Although the effectiveness of these methods in visual text rendering is rapidly improving, they still encounter challenges such as inaccurate characters and strokes when rendering complex visual text. In this paper, we propose CharGen, a highly accurate character-level visual text generation and editing model. Specifically, CharGen employs a character-level multimodal encoder that not only extracts character-level text embeddings but also encodes glyph images character by character. This enables it to capture fine-grained cross-modality features more effectively. Additionally, we introduce a new perceptual loss in CharGen to enhance character shape supervision and address the issue of inaccurate strokes in generated text. It is worth mentioning that CharGen can be integrated into existing diffusion models to generate visual text with high accuracy. CharGen significantly improves text rendering accuracy, outperforming recent methods in public benchmarks such as AnyText-benchmark and MARIO-Eval, with improvements of more than 8% and 6%, respectively. Notably, CharGen achieved a 5.5% increase in accuracy on Chinese test sets.

MPPO: Multi Pair-wise Preference Optimization for LLMs with Arbitrary Negative Samples

Aligning Large Language Models (LLMs) with human feedback is crucial for their development. Existing preference optimization methods such as DPO and KTO, while improved based on Reinforcement Learning from Human Feedback (RLHF), are inherently derived from PPO, requiring a reference model that adds GPU memory resources and relies heavily on abundant preference data. Meanwhile, current preference optimization research mainly targets single-question scenarios with two replies, neglecting optimization with multiple replies, which leads to a waste of data in the application. This study introduces the MPPO algorithm, which leverages the average likelihood of model responses to fit the reward function and maximizes the utilization of preference data. Through a comparison of Point-wise, Pair-wise, and List-wise implementations, we found that the Pair-wise approach achieves the best performance, significantly enhancing the quality of model responses. Experimental results demonstrate MPPO's outstanding performance across various benchmarks. On MT-Bench, MPPO outperforms DPO, ORPO, and SimPO. Notably, on Arena-Hard, MPPO surpasses DPO and ORPO by substantial margins. These achievements underscore the remarkable advantages of MPPO in preference optimization tasks.

Dynamic Ensemble Reasoning for LLM Experts

Ensemble reasoning for the strengths of different LLM experts is critical to achieving consistent and satisfactory performance on diverse inputs across a wide range of tasks. However, existing LLM ensemble methods are either computationally intensive or incapable of leveraging complementary knowledge among LLM experts for various inputs. In this paper, we propose a Dynamic Ensemble Reasoning paradigm, called DER to integrate the strengths of multiple LLM experts conditioned on dynamic inputs. Specifically, we model the LLM ensemble reasoning problem as a Markov Decision Process (MDP), wherein an agent sequentially takes inputs to request knowledge from an LLM candidate and passes the output to a subsequent LLM candidate. Moreover, we devise a reward function to train a DER-Agent to dynamically select an optimal answering route given the input questions, aiming to achieve the highest performance with as few computational resources as possible. Last, to fully transfer the expert knowledge from the prior LLMs, we develop a Knowledge Transfer Prompt (KTP) that enables the subsequent LLM candidates to transfer complementary knowledge effectively. Experiments demonstrate that our method uses fewer computational resources to achieve better performance compared to state-of-the-art baselines.

Diffusion models learn distributions generated by complex Langevin dynamics

The probability distribution effectively sampled by a complex Langevin process for theories with a sign problem is not known a priori and notoriously hard to understand. Diffusion models, a class of generative AI, can learn distributions from data. In this contribution, we explore the ability of diffusion models to learn the distributions created by a complex Langevin process.

On learning higher-order cumulants in diffusion models

To analyse how diffusion models learn correlations beyond Gaussian ones, we study the behaviour of higher-order cumulants, or connected n-point functions, under both the forward and backward process. We derive explicit expressions for the moment- and cumulant-generating functionals, in terms of the distribution of the initial data and properties of forward process. It is shown analytically that during the forward process higher-order cumulants are conserved in models without a drift, such as the variance-expanding scheme, and that therefore the endpoint of the forward process maintains nontrivial correlations. We demonstrate that since these correlations are encoded in the score function, higher-order cumulants are learnt in the backward process, also when starting from a normal prior. We confirm our analytical results in an exactly solvable toy model with nonzero cumulants and in scalar lattice field theory.

Defense-as-a-Service: Black-box Shielding against Backdoored Graph Models

With the trend of large graph learning models, business owners tend to employ a model provided by a third party to deliver business services to users. However, these models might be backdoored, and malicious users can submit trigger-embedded inputs to manipulate the model predictions. Current graph backdoor defenses have several limitations: 1) depending on model-related details, 2) requiring additional model fine-tuning, and 3) relying upon extra explainability tools, all of which are infeasible under stringent privacy policies. To address those limitations, we propose GraphProt, which allows resource-constrained business owners to rely on third parties to avoid backdoor attacks on GNN-based graph classifiers. Our GraphProt is model-agnostic and only relies on the input graph. The key insight is to leverage subgraph information for prediction, thereby mitigating backdoor effects induced by triggers. GraphProt comprises two components: clustering-based trigger elimination and robust subgraph ensemble. Specifically, we first propose feature-topology clustering that aims to remove most of the anomalous subgraphs (triggers). Moreover, we design subgraph sampling strategies based on feature-topology clustering to build a robust classifier via majority vote. Experimental results across three backdoor attacks and six benchmark datasets demonstrate that GraphProt significantly reduces the backdoor attack success rate while preserving the model accuracy on regular graph classification tasks.

The Comparison of Individual Cat Recognition Using Neural Networks

Facial recognition using deep learning has been widely used in social life for applications such as authentication, smart door locks, and photo grouping, etc. More and more networks have been developed to facilitate computer vision tasks, such as ResNet, DenseNet, EfficientNet, ConvNeXt, and Siamese networks. However, few studies have systematically compared the advantages and disadvantages of such neural networks in identifying individuals from images, especially for pet animals like cats. In the present study, by systematically comparing the efficacy of different neural networks in cat recognition, we found traditional CNNs trained with transfer learning have better performance than models trained with the fine-tuning method or Siamese networks in individual cat recognition. In addition, ConvNeXt and DenseNet yield significant results which could be further optimized for individual cat recognition in pet stores and in the wild. These results provide a method to improve cat management in pet stores and monitoring of cats in the wild.

SFR-GNN: Simple and Fast Robust GNNs against Structural Attacks

Graph Neural Networks (GNNs) have demonstrated commendable performance for graph-structured data. Yet, GNNs are often vulnerable to adversarial structural attacks as embedding generation relies on graph topology. Existing efforts are dedicated to purifying the maliciously modified structure or applying adaptive aggregation, thereby enhancing the robustness against adversarial structural attacks. It is inevitable for a defender to consume heavy computational costs due to lacking prior knowledge about modified structures. To this end, we propose an efficient defense method, called Simple and Fast Robust Graph Neural Network (SFR-GNN), supported by mutual information theory. The SFR-GNN first pre-trains a GNN model using node attributes and then fine-tunes it over the modified graph in the manner of contrastive learning, which is free of purifying modified structures and adaptive aggregation, thus achieving great efficiency gains. Consequently, SFR-GNN exhibits a 24%--162% speedup compared to advanced robust models, demonstrating superior robustness for node classification tasks.