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While large language models (LLMs) have shown exceptional capabilities in understanding complex queries and performing sophisticated tasks, their generalization abilities are often deeply entangled with memorization, necessitating more precise evaluation. To address this challenge, we introduce Scylla, a dynamic evaluation framework that quantitatively measures the generalization abilities of LLMs. Scylla disentangles generalization from memorization via assessing model performance on both in-distribution (ID) and out-of-distribution (OOD) data through 20 tasks across 5 levels of complexity. Through extensive experiments, we uncover a non-monotonic relationship between task complexity and the performance gap between ID and OOD data, which we term the generalization valley. Specifically, this phenomenon reveals a critical threshold - referred to as critical complexity - where reliance on non-generalizable behavior peaks, indicating the upper bound of LLMs' generalization capabilities. As model size increases, the critical complexity shifts toward higher levels of task complexity, suggesting that larger models can handle more complex reasoning tasks before over-relying on memorization. Leveraging Scylla and the concept of critical complexity, we benchmark 28LLMs including both open-sourced models such as LLaMA and Qwen families, and close-sourced models like Claude and GPT, providing a more robust evaluation and establishing a clearer understanding of LLMs' generalization capabilities.

The emergence of multi-agent reinforcement learning (MARL) is significantly transforming various fields like autonomous vehicle networks. However, real-world multi-agent systems typically contain multiple roles, and the scale of these systems dynamically fluctuates. Consequently, in order to achieve zero-shot scalable collaboration, it is essential that strategies for different roles can be updated flexibly according to the scales, which is still a challenge for current MARL frameworks. To address this, we propose a novel MARL framework named Scalable and Heterogeneous Proximal Policy Optimization (SHPPO), integrating heterogeneity into parameter-shared PPO-based MARL networks. We first leverage a latent network to learn strategy patterns for each agent adaptively. Second, we introduce a heterogeneous layer to be inserted into decision-making networks, whose parameters are specifically generated by the learned latent variables. Our approach is scalable as all the parameters are shared except for the heterogeneous layer, and gains both inter-individual and temporal heterogeneity, allowing SHPPO to adapt effectively to varying scales. SHPPO exhibits superior performance in classic MARL environments like Starcraft Multi-Agent Challenge (SMAC) and Google Research Football (GRF), showcasing enhanced zero-shot scalability, and offering insights into the learned latent variables' impact on team performance by visualization.

Recently, multimodal recommendations (MMR) have gained increasing attention for alleviating the data sparsity problem of traditional recommender systems by incorporating modality-based representations. Although MMR exhibit notable improvement in recommendation accuracy, we empirically validate that an increase in the quantity or variety of modalities leads to a higher degree of users' sensitive information leakage due to entangled causal relationships, risking fair representation learning. On the other hand, existing fair representation learning approaches are mostly based on the assumption that sensitive information is solely leaked from users' interaction data and do not explicitly model the causal relationships introduced by multimodal data, which limits their applicability in multimodal scenarios. Particularly, we disentangle biased and filtered modal embeddings inspired by causal inference techniques, enabling the mining of modality-based unfair and fair user-user relations, thereby enhancing the fairness and informativeness of user representations. By addressing the causal effects of sensitive attributes on user preferences, our approach aims to achieve counterfactual fairness in multimodal recommendations. Experiments on two public datasets demonstrate the superiority of our FMMRec relative to the state-of-the-art baselines. Our source code is available at //github.com/WeixinChen98/FMMRec.

Complex logical query answering (CLQA) in knowledge graphs (KGs) goes beyond simple KG completion and aims at answering compositional queries comprised of multiple projections and logical operations. Existing CLQA methods that learn parameters bound to certain entity or relation vocabularies can only be applied to the graph they are trained on which requires substantial training time before being deployed on a new graph. Here we present UltraQuery, the first foundation model for inductive reasoning that can zero-shot answer logical queries on any KG. The core idea of UltraQuery is to derive both projections and logical operations as vocabulary-independent functions which generalize to new entities and relations in any KG. With the projection operation initialized from a pre-trained inductive KG reasoning model, UltraQuery can solve CLQA on any KG after finetuning on a single dataset. Experimenting on 23 datasets, UltraQuery in the zero-shot inference mode shows competitive or better query answering performance than best available baselines and sets a new state of the art on 15 of them.

Robust partially observable Markov decision processes (robust POMDPs) extend classical POMDPs to handle additional uncertainty on the transition and observation probabilities via so-called uncertainty sets. Policies for robust POMDPs must not only be memory-based to account for partial observability but also robust against model uncertainty to account for the worst-case instances from the uncertainty sets. We propose the pessimistic iterative planning (PIP) framework, which finds robust memory-based policies for robust POMDPs. PIP alternates between two main steps: (1) selecting an adversarial (non-robust) POMDP via worst-case probability instances from the uncertainty sets; and (2) computing a finite-state controller (FSC) for this adversarial POMDP. We evaluate the performance of this FSC on the original robust POMDP and use this evaluation in step (1) to select the next adversarial POMDP. Within PIP, we propose the rFSCNet algorithm. In each iteration, rFSCNet finds an FSC through a recurrent neural network by using supervision policies optimized for the adversarial POMDP. The empirical evaluation in four benchmark environments showcases improved robustness against several baseline methods and competitive performance compared to a state-of-the-art robust POMDP solver.

We propose GAN-Supervised Learning, a framework for learning discriminative models and their GAN-generated training data jointly end-to-end. We apply our framework to the dense visual alignment problem. Inspired by the classic Congealing method, our GANgealing algorithm trains a Spatial Transformer to map random samples from a GAN trained on unaligned data to a common, jointly-learned target mode. We show results on eight datasets, all of which demonstrate our method successfully aligns complex data and discovers dense correspondences. GANgealing significantly outperforms past self-supervised correspondence algorithms and performs on-par with (and sometimes exceeds) state-of-the-art supervised correspondence algorithms on several datasets -- without making use of any correspondence supervision or data augmentation and despite being trained exclusively on GAN-generated data. For precise correspondence, we improve upon state-of-the-art supervised methods by as much as $3\times$. We show applications of our method for augmented reality, image editing and automated pre-processing of image datasets for downstream GAN training.

Geometric deep learning (GDL), which is based on neural network architectures that incorporate and process symmetry information, has emerged as a recent paradigm in artificial intelligence. GDL bears particular promise in molecular modeling applications, in which various molecular representations with different symmetry properties and levels of abstraction exist. This review provides a structured and harmonized overview of molecular GDL, highlighting its applications in drug discovery, chemical synthesis prediction, and quantum chemistry. Emphasis is placed on the relevance of the learned molecular features and their complementarity to well-established molecular descriptors. This review provides an overview of current challenges and opportunities, and presents a forecast of the future of GDL for molecular sciences.

Recent contrastive representation learning methods rely on estimating mutual information (MI) between multiple views of an underlying context. E.g., we can derive multiple views of a given image by applying data augmentation, or we can split a sequence into views comprising the past and future of some step in the sequence. Contrastive lower bounds on MI are easy to optimize, but have a strong underestimation bias when estimating large amounts of MI. We propose decomposing the full MI estimation problem into a sum of smaller estimation problems by splitting one of the views into progressively more informed subviews and by applying the chain rule on MI between the decomposed views. This expression contains a sum of unconditional and conditional MI terms, each measuring modest chunks of the total MI, which facilitates approximation via contrastive bounds. To maximize the sum, we formulate a contrastive lower bound on the conditional MI which can be approximated efficiently. We refer to our general approach as Decomposed Estimation of Mutual Information (DEMI). We show that DEMI can capture a larger amount of MI than standard non-decomposed contrastive bounds in a synthetic setting, and learns better representations in a vision domain and for dialogue generation.

This paper aims to mitigate straggler effects in synchronous distributed learning for multi-agent reinforcement learning (MARL) problems. Stragglers arise frequently in a distributed learning system, due to the existence of various system disturbances such as slow-downs or failures of compute nodes and communication bottlenecks. To resolve this issue, we propose a coded distributed learning framework, which speeds up the training of MARL algorithms in the presence of stragglers, while maintaining the same accuracy as the centralized approach. As an illustration, a coded distributed version of the multi-agent deep deterministic policy gradient(MADDPG) algorithm is developed and evaluated. Different coding schemes, including maximum distance separable (MDS)code, random sparse code, replication-based code, and regular low density parity check (LDPC) code are also investigated. Simulations in several multi-robot problems demonstrate the promising performance of the proposed framework.

Graph neural networks (GNNs) are a popular class of machine learning models whose major advantage is their ability to incorporate a sparse and discrete dependency structure between data points. Unfortunately, GNNs can only be used when such a graph-structure is available. In practice, however, real-world graphs are often noisy and incomplete or might not be available at all. With this work, we propose to jointly learn the graph structure and the parameters of graph convolutional networks (GCNs) by approximately solving a bilevel program that learns a discrete probability distribution on the edges of the graph. This allows one to apply GCNs not only in scenarios where the given graph is incomplete or corrupted but also in those where a graph is not available. We conduct a series of experiments that analyze the behavior of the proposed method and demonstrate that it outperforms related methods by a significant margin.