Problem Solving
Understanding the Expressive Power and Mechanisms of Transformer for Sequence Modeling
We conduct a systematic study of the approximation properties of Transformer for sequence modeling with long, sparse and complicated memory. We investigate the mechanisms through which different components of Transformer, such as the dot-product self-attention, positional encoding and feed-forward layer, affect its expressive power, and we study their combined effects through establishing explicit approximation rates.Our study reveals the roles of critical parameters in the Transformer, such as the number of layers and the number of attention heads.These theoretical insights are validated experimentally and offer natural suggestions for alternative architectures.
Hybrid Models for Learning to Branch
A recent Graph Neural Network (GNN) approach for learning to branch has been shown to successfully reduce the running time of branch-and-bound algorithms for Mixed Integer Linear Programming (MILP). While the GNN relies on a GPU for inference, MILP solvers are purely CPU-based. This severely limits its application as many practitioners may not have access to high-end GPUs. In this work, we ask two key questions. First, in a more realistic setting where only a CPU is available, is the GNN model still competitive? Second, can we devise an alternate computationally inexpensive model that retains the predictive power of the GNN architecture? We answer the first question in the negative, and address the second question by proposing a new hybrid architecture for efficient branching on CPU machines. The proposed architecture combines the expressive power of GNNs with computationally inexpensive multi-layer perceptrons (MLP) for branching. We evaluate our methods on four classes of MILP problems, and show that they lead to up to 26% reduction in solver running time compared to state-of-the-art methods without a GPU, while extrapolating to harder problems than it was trained on.
End-to-end Algorithm Synthesis with Recurrent Networks: Extrapolation without Overthinking
Machine learning systems perform well on pattern matching tasks, but their ability to perform algorithmic or logical reasoning is not well understood. One important reasoning capability is algorithmic extrapolation, in which models trained only on small/simple reasoning problems can synthesize complex strategies for large/complex problems at test time. Algorithmic extrapolation can be achieved through recurrent systems, which can be iterated many times to solve difficult reasoning problems. We observe that this approach fails to scale to highly complex problems because behavior degenerates when many iterations are applied -- an issue we refer to as overthinking. We propose a recall architecture that keeps an explicit copy of the problem instance in memory so that it cannot be forgotten. We also employ a progressive training routine that prevents the model from learning behaviors that are specific to iteration number and instead pushes it to learn behaviors that can be repeated indefinitely. These innovations prevent the overthinking problem, and enable recurrent systems to solve extremely hard extrapolation tasks.
Dense Associative Memory Through the Lens of Random Features
Dense Associative Memories are high storage capacity variants of the Hopfield networks that are capable of storing a large number of memory patterns in the weights of the network of a given size. Their common formulations typically require storing each pattern in a separate set of synaptic weights, which leads to the increase of the number of synaptic weights when new patterns are introduced. In this work we propose an alternative formulation of this class of models using random features, commonly used in kernel methods. In this formulation the number of network's parameters remains fixed. At the same time, new memories can be added to the network by modifying existing weights. We show that this novel network closely approximates the energy function and dynamics of conventional Dense Associative Memories and shares their desirable computational properties.
Deep Reinforcement Learning with Stacked Hierarchical Attention for Text-based Games
We study reinforcement learning (RL) for text-based games, which are interactive simulations in the context of natural language. While different methods have been developed to represent the environment information and language actions, existing RL agents are not empowered with any reasoning capabilities to deal with textual games. In this work, we aim to conduct explicit reasoning with knowledge graphs for decision making, so that the actions of an agent are generated and supported by an interpretable inference procedure. We propose a stacked hierarchical attention mechanism to construct an explicit representation of the reasoning process by exploiting the structure of the knowledge graph. We extensively evaluate our method on a number of man-made benchmark games, and the experimental results demonstrate that our method performs better than existing text-based agents.
FACT: Learning Governing Abstractions Behind Integer Sequences
Integer sequences are of central importance to the modeling of concepts admitting complete finitary descriptions. We introduce a novel view on the learning of such concepts and lay down a set of benchmarking tasks aimed at conceptual understanding by machine learning models. These tasks indirectly assess model ability to abstract, and challenge them to reason both interpolatively and extrapolatively from the knowledge gained by observing representative examples. To further aid research in knowledge representation and reasoning, we present FACT, the Finitary Abstraction Comprehension Toolkit.
Monte Carlo Tree Descent for Black-Box Optimization
The key to Black-Box Optimization is to efficiently search through input regions with potentially widely-varying numerical properties, to achieve low-regret descent and fast progress toward the optima. Monte Carlo Tree Search (MCTS) methods have recently been introduced to improve Bayesian optimization by computing better partitioning of the search space that balances exploration and exploitation. Extending this promising framework, we study how to further integrate sample-based descent for faster optimization. We design novel ways of expanding Monte Carlo search trees, with new descent methods at vertices that incorporate stochastic search and Gaussian Processes. We propose the corresponding rules for balancing progress and uncertainty, branch selection, tree expansion, and backpropagation. The designed search process puts more emphasis on sampling for faster descent and uses localized Gaussian Processes as auxiliary metrics for both exploitation and exploration. We show empirically that the proposed algorithms can outperform state-of-the-art methods on many challenging benchmark problems.
Benchmarking Multimodal LLMs on Recognition and Understanding over Chemical Tables
Zhou, Yitong, Cheng, Mingyue, Mao, Qingyang, Luo, Yucong, Liu, Qi, Li, Yupeng, Zhang, Xiaohan, Liu, Deguang, Li, Xin, Chen, Enhong
With the widespread application of multimodal large language models in scientific intelligence, there is an urgent need for more challenging evaluation benchmarks to assess their ability to understand complex scientific data. Scientific tables, as core carriers of knowledge representation, combine text, symbols, and graphics, forming a typical multimodal reasoning scenario. However, existing benchmarks are mostly focused on general domains, failing to reflect the unique structural complexity and domain-specific semantics inherent in scientific research. Chemical tables are particularly representative: they intertwine structured variables such as reagents, conditions, and yields with visual symbols like molecular structures and chemical formulas, posing significant challenges to models in cross-modal alignment and semantic parsing. To address this, we propose ChemTable-a large scale benchmark of chemical tables constructed from real-world literature, containing expert-annotated cell layouts, logical structures, and domain-specific labels. It supports two core tasks: (1) table recognition (structure and content extraction); and (2) table understanding (descriptive and reasoning-based question answering). Evaluation on ChemTable shows that while mainstream multimodal models perform reasonably well in layout parsing, they still face significant limitations when handling critical elements such as molecular structures and symbolic conventions. Closed-source models lead overall but still fall short of human-level performance. This work provides a realistic testing platform for evaluating scientific multimodal understanding, revealing the current bottlenecks in domain-specific reasoning and advancing the development of intelligent systems for scientific research.
Thinking Ahead: Foresight Intelligence in MLLMs and World Models
Gong, Zhantao, Fan, Liaoyuan, Guo, Qing, Xu, Xun, Yang, Xulei, Li, Shijie
In this work, we define Foresight Intelligence as the capability to anticipate and interpret future events-an ability essential for applications such as autonomous driving, yet largely overlooked by existing research. To bridge this gap, we introduce FSU-QA, a new Visual Question-Answering (VQA) dataset specifically designed to elicit and evaluate Foresight Intelligence. Using FSU-QA, we conduct the first comprehensive study of state-of-the-art Vision-Language Models (VLMs) under foresight-oriented tasks, revealing that current models still struggle to reason about future situations. Beyond serving as a benchmark, FSU-QA also enables the assessment of world models by measuring the semantic coherence of their generated predictions, quantified through performance gains when VLMs are augmented with such outputs. Our experiments further demonstrate that FSU-QA can effectively enhance foresight reasoning: even small VLMs fine-tuned on FSU-QA surpass much larger, advanced models by a substantial margin. Together, these findings position FSU-QA as a principled foundation for developing next-generation models capable of truly anticipating and understanding future events.