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Applications · Health / Medicine

Kaicheng Fu, Changde Du, Jie Peng, Kunpeng Wang, Shuangchen Zhao, Xiaoyu Chen, Huiguang He

Emotion recognition systems face significant challenges in real-world applications, where novel emotion categories continually emerge and multiple emotions often co-occur. This paper introduces multi-label fine-grained class incremental emotion decoding, which aims to develop models capable of incrementally learning new emotion categories while maintaining the ability to recognize multiple concurrent emotions. We propose an Augmented Emotional Semantics Learning (AESL) framework to address two critical challenges: past- and future-missing partial label problems. AESL incorporates an augmented Emotional Relation Graph (ERG) for reliable soft label generation and affective dimension-based knowledge distillation for future-aware feature learning. We evaluate our approach on three datasets spanning brain activity and multimedia domains, demonstrating its effectiveness in decoding up to 28 fine-grained emotion categories. Results show that AESL significantly outperforms existing methods while effectively mitigating catastrophic forgetting. Our code is available at https://github.com/ChangdeDu/EmoGrowth.

Applications · Everything Else

Arturs Berzins, Andreas Radler, Eric Volkmann, Sebastian Sanokowski, Sepp Hochreiter, Johannes Brandstetter

Geometry is a ubiquitous tool in computer graphics, design, and engineering. However, the lack of large shape datasets limits the application of state-of-the-art supervised learning methods and motivates the exploration of alternative learning strategies. To this end, we introduce geometry-informed neural networks (GINNs) -- a framework for training shape-generative neural fields without data by leveraging user-specified design requirements in the form of objectives and constraints. By adding diversity as an explicit constraint, GINNs avoid mode-collapse and can generate multiple diverse solutions, often required in geometry tasks. Experimentally, we apply GINNs to several problems spanning physics, geometry, and engineering design, showing control over geometrical and topological properties, such as surface smoothness or the number of holes. These results demonstrate the potential of training shape-generative models without data, paving the way for new generative design approaches without large datasets.

Applications · Chemistry, Physics, and Earth Sciences

Shu Wei, Yanjie Li, Lina Yu, Weijun Li, Min Wu, Linjun Sun, Jingyi Liu, Hong Qin, Deng Yusong, Jufeng Han 等

The quest for analytical solutions to differential equations has traditionally been constrained by the need for extensive mathematical expertise.Machine learning methods like genetic algorithms have shown promise in this domain, but are hindered by significant computational time and the complexity of their derived solutions. This paper introduces **SSDE** (Symbolic Solver for Differential Equations), a novel reinforcement learning-based approach that derives symbolic closed-form solutions for various differential equations. Evaluations across a diverse set of ordinary and partial differential equations demonstrate that SSDE outperforms existing machine learning methods, delivering superior accuracy and efficiency in obtaining analytical solutions.

Optimization · Discrete and Combinatorial Optimization

Ismail Alkhouri, Cedric Le Denmat, Yingjie Li, CUNXI YU, Jia (Kevin) Liu, Rongrong Wang, Alvaro Velasquez

Combinatorial Optimization (CO) addresses many important problems, including the challenging Maximum Independent Set (MIS) problem. Alongside exact and heuristic solvers, differentiable approaches have emerged, often using continuous relaxations of quadratic objectives. Noting that an MIS in a graph is a Maximum Clique (MC) in its complement, we propose a new quadratic formulation for MIS by incorporating an MC term, improving convergence and exploration. We show that every maximal independent set corresponds to a local minimizer, derive conditions with respect to the MIS size, and characterize stationary points. To tackle the non-convexity of the objective, we propose optimizing several initializations in parallel using momentum-based gradient descent, complemented by an efficient MIS checking criterion derived from our theory. We dub our method as **p**arallelized **C**lique-Informed **Q**uadratic **O**ptimization for MIS (pCQO-MIS). Our experimental results demonstrate the effectiveness of the proposed method compared to exact, heuristic, sampling, and data-centric approaches. Notably, our method avoids the out-of-distribution tuning and reliance on (un)labeled data required by data-centric methods, while achieving superior MIS sizes and competitive run-time relative to their inference time. Additionally, a key advantage of pCQO-MIS is that, unlike exact and heuristic solvers, the run-time scales only with the number of nodes in the graph, not the number of edges. Our code is available at the GitHub repository: https://github.com/ledenmat/pCQO-mis-benchmark/tree/refactor.

Deep Learning · Large Language Models

Bernal Jimenez Gutierrez, Yiheng Shu, Weijian Qi, Sizhe Zhou, Yu Su

Our ability to continuously acquire, organize, and leverage knowledge is a key feature of human intelligence that AI systems must approximate to unlock their full potential. Given the challenges in continual learning with large language models (LLMs), retrieval-augmented generation (RAG) has become the dominant way to introduce new information. However, its reliance on vector retrieval hinders its ability to mimic the dynamic and interconnected nature of human long-term memory. Recent RAG approaches augment vectorembeddings with various structures like knowledge graphs to address some of these gaps, namely sense-making and associativity. However, their performance on more basic factual memory tasks drops considerably below standard RAG. We address this unintended deterioration and propose HippoRAG 2, a framework that outperforms standard RAG comprehensively on factual, sense-making, and associative memory tasks. HippoRAG 2 builds upon the Personalized PageRank algorithm used in HippoRAG and enhances it with deeper passage integration and more effective online use of an LLM. This combination pushes this RAG system closer to the effectiveness of human long-term memory, achieving a 7% improvement in associative memory tasks over the state-of-the-art embedding model while also exhibiting superior factual knowledge and sense-making memory capabilities. This work paves the way for non-parametric continual learning for LLMs. Code and data are available at https://github.com/OSU-NLP-Group/HippoRAG.

Applications · Everything Else

Tobias Braun, Mark Rothermel, Marcus Rohrbach, Anna Rohrbach

The proliferation of disinformation demands reliable and scalable fact-checking solutions. We present **D**ynamic **E**vidence-based **FA**ct-checking with **M**ultimodal **E**xperts (DEFAME), a modular, zero-shot MLLM pipeline for open-domain, text-image claim verification. DEFAME operates in a six-stage process, dynamically selecting the tools and search depth to extract and evaluate textual and visual evidence. Unlike prior approaches that are text-only, lack explainability, or rely solely on parametric knowledge, DEFAME performs end-to-end verification, accounting for images in claims *and* evidence while generating structured, multimodal reports. Evaluation on the popular benchmarks VERITE, AVeriTeC, and MOCHEG shows that DEFAME surpasses all previous methods, establishing itself as the new general state-of-the-art fact-checking system for uni- and multimodal fact-checking. Moreover, we introduce a new multimodal benchmark, ClaimReview2024+, featuring claims after the knowledge cutoff of GPT-4o, avoiding data leakage. Here, DEFAME drastically outperforms the GPT-4o baselines, showing temporal generalizability and the potential for real-time fact-checking.

Theory

Arnold Filtser, Shaofeng Jiang, Yi Li, Anurag Murty Naredla, Ioannis Psarros, Qiaoyuan Yang, Qin Zhang

We study efficient algorithms for the Euclidean $k$-Center problem, focusing on the regime of large $k$. We take the approach of data reduction by considering $\alpha$-coreset, which is a small subset $S$ of the dataset $P$ such that any $\beta$-approximation on $S$ is an $(\alpha + \beta)$-approximation on $P$. We give efficient algorithms to construct coresets whose size is $k \cdot o(n)$, which immediately speeds up existing approximation algorithms. Notably, we obtain a near-linear time $O(1)$-approximation when $k = n^c$ for any $0 < c < 1$. We validate the performance of our coresets on real-world datasets with large $k$, and we observe that the coreset speeds up the well-known Gonzalez algorithm by up to $4$ times, while still achieving similar clustering cost. Technically, one of our coreset results is based on a new efficient construction of consistent hashing with competitive parameters. This general tool may be of independent interest for algorithm design in high dimensional Euclidean spaces.

Deep Learning · Large Language Models

Yang Yu, Kai Han, Hang Zhou, Yehui Tang, Kaiqi Huang, Yunhe Wang, Dacheng Tao

While large-scale training data is fundamental for developing capable large language models (LLMs), strategically selecting high-quality data has emerged as a critical approach to enhance training efficiency and reduce computational costs. Current data selection methodologies predominantly rely on static, training-agnostic criteria, failing to account for the dynamic model training and data interactions. In this paper, we propose a new Data Weighting Model (DWM) to adjust the weight of selected data within each batch to achieve a dynamic data utilization during LLM training. Specially, to better capture the dynamic data preference of the trained model, a bi-level optimization framework is implemented to update the weighting model. Our experiments demonstrate that DWM enhances the performance of models trained with randomly-selected data, and the learned weighting model can be transferred to enhance other data selection methods and models of different sizes. Moreover, we further analyze how a model’s data preferences evolve throughout training, providing new insights into the data preference of the model during training.

Probabilistic Methods · Bayesian Models and Methods

Alan Amin, Andres Potapczynski, Andrew Wilson

To understand how genetic variants in human genomes manifest in phenotypes - traits like height or diseases like asthma - geneticists have sequenced and measured hundreds of thousands of individuals. Geneticists use this data to build models that predict how a genetic variant impacts phenotype given genomic features of the variant, like DNA accessibility or the presence of nearby DNA-bound proteins. As more data and features become available, one might expect predictive models to improve. Unfortunately, training these models is bottlenecked by the need to solve expensive linear algebra problems because variants in the genome are correlated with nearby variants, requiring inversion of large matrices. Previous methods have therefore been restricted to fitting small models, and fitting simplified summary statistics, rather than the full likelihood of the statistical model. In this paper, we leverage modern fast linear algebra techniques to develop DeepWAS (Deep genome Wide Association Studies), a method to train large and flexible neural network predictive models to optimize likelihood. Surprisingly, we find that larger models only improve performance when using our full likelihood approach; when trained by fitting traditional summary statistics, larger models perform no better than small ones. We find larger models trained on more features make better predictions, potentially improving disease predictions and therapeutic target identification.

Applications · Language, Speech and Dialog

Hao Gu, Wei Li, Lujun Li, Qiyuan Zhu, Mark Lee, Shengjie Sun, Wei Xue, Yike Guo

Mixture-of-Experts (MoE) architectures in large language models (LLMs) achieve exceptional performance, but face prohibitive storage and memory requirements. To address these challenges, we present $D^2$-MoE, a new delta decompression compressor for reducing the parameters of MoE LLMs. Based on observations of expert diversity, we decompose their weights into a shared base weight and unique delta weights. Specifically, our method first merges each expert's weight into the base weight using the Fisher information matrix to capture shared components. Then, we compress delta weights through Singular Value Decomposition (SVD) by exploiting their low-rank properties.Finally, we introduce a semi-dynamical structured pruning strategy for the base weights, combining static and dynamic redundancy analysis to achieve further parameter reduction while maintaining input adaptivity. In this way, our $D^2$-MoE successfully compacts MoE LLMs to high compression ratios without additional training. Extensive experiments highlight the superiority of our approach, with over 13\% performance gains than other compressors on Mixtral|Phi-3.5|DeepSeek|Qwen2 MoE LLMs at 40$\sim$60\% compression rates. Codes are available in https://github.com/lliai/D2MoE.

Reinforcement Learning · Planning

Chunlok Lo, Kevin Roice, Parham Mohammad Panahi, Scott Jordan, Adam White, Gabor Mihucz, Farzane Aminmansour, Martha White

This paper investigates a new approach to model-based reinforcement learning using background planning: mixing (approximate) dynamic programming updates and model-free updates, similar to the Dyna architecture. Background planning with learned models is often worse than model-free alternatives, such as Double DQN, even though the former uses significantly more memory and computation. The fundamental problem is that learned models can be inaccurate and often generate invalid states, especially when iterated many steps. In this paper, we avoid this limitation by constraining background planning to a given set of (abstract) subgoals and learning only local, subgoal-conditioned models. This goal-space planning (GSP) approach is more computationally efficient, naturally incorporates temporal abstraction for faster long-horizon planning, and avoids learning the transition dynamics entirely. We show that our GSP algorithm can propagate value from an abstract space in a manner that helps a variety of base learners learn significantly faster in different domains.

Probabilistic Methods

Gwen Yidou-Weng, Benjie Wang, Guy Van den Broeck

As large language models (LMs) advance, there is an increasing need to control their outputs to align with human values (e.g., detoxification) or desired attributes (e.g., personalization, topic). However, autoregressive models focus on next-token predictions and struggle with global properties that require looking ahead. Existing solutions either post-train LMs for each new attribute—expensive and inflexible—or approximate the Expected Attribute Probability (EAP) of future sequences by sampling or training, which is slow and unreliable for rare attributes. We introduce **TRACE** (Tractable Probabilistic Reasoning for Adaptable Controllable gEneration), a novel framework that efficiently computes EAP and adapts to new attributes through tractable *probabilistic* reasoning and lightweight *control*. TRACE distills a Hidden Markov Model (HMM) from an LM and pairs it with a small classifier to estimate attribute probabilities, enabling exact EAP computation over the HMM’s predicted futures. This EAP is then used to reweigh the LM’s next-token probabilities for globally compliant continuations. Empirically, TRACE achieves state-of-the-art detoxification results with only 20% decoding overhead, yields 76 low-resource personalized LMs within seconds, and seamlessly extends to composite attributes.

Deep Learning · Large Language Models

Tushar Aggarwal, Swayam Singh, Abhijeet Awasthi, Aditya Kanade, Nagarajan Natarajan

Software engineering activities frequently involve edits to existing code. However, contemporary code language models (LMs) lack the ability to handle diverse types of code-edit requirements. In this work, we attempt to overcome this shortcoming through (1) a novel synthetic data generation pipeline and (2) a robust model adaptation algorithm. Starting with seed code examples and diverse editing criteria, our pipeline generates high-quality samples comprising original and modified code, along with natural language instructions in different styles and verbosity. Today's code LMs come bundled with strong abilities, such as code generation and instruction following, which should not be lost due to fine-tuning. To ensure this, we propose a novel adaptation algorithm, SeleKT, that (a) leverages a dense gradient-based step to identify the weights that are most important for code editing, and (b) does a sparse projection onto the base model to avoid overfitting. Using our approach, we obtain a new series of models NextCoder (adapted from QwenCoder-2.5) that achieves strong results on five code-editing benchmarks, outperforming comparable size models and even several larger ones. We show the generality of our approach on two model families DeepSeekCoder and QwenCoder), compare against other fine-tuning approaches, and demonstrate robustness by showing retention of code generation and general problem-solving abilities post adaptation. We opensource the models, synthetic dataset, and implementation at http://aka.ms/nextcoder.

Applications

Zhongming Yu, Hejia Zhang, Yujie Zhao, Hanxian Huang, Matrix Yao, Ke Ding, Jishen Zhao

Recent developments in Large Language Model (LLM) agents are revolutionizing Autonomous Software Engineering (ASE), enabling automated coding, problem fixes, and feature improvements. However, localization -- precisely identifying software problems by navigating to relevant code sections -- remains a significant challenge. Current approaches often yield suboptimal results due to a lack of effective integration between LLM agents and precise code search mechanisms. This paper introduces OrcaLoca, an LLM agent framework that improves accuracy for software issue localization by integrating priority-based scheduling for LLM-guided action, action decomposition with relevance scoring, and distance-aware context pruning. Experimental results demonstrate that OrcaLoca becomes the new open-source state-of-the-art (SOTA) in function match rate (65.33%) on SWE-bench Lite. It also improves the final resolved rate of an open-source framework by 6.33 percentage points through its patch generation integration.

Deep Learning · Large Language Models

Nadav Timor, Jonathan Mamou, Daniel Korat, Moshe Berchansky, Gaurav Jain, Oren Pereg, Moshe Wasserblat, David Harel

Accelerating the inference of large language models (LLMs) is a critical challenge in generative AI. Speculative decoding (SD) methods offer substantial efficiency gains by generating multiple tokens using a single target forward pass. However, existing SD approaches require the drafter and target models to share the same vocabulary, thus limiting the pool of possible drafters, often necessitating the training of a drafter from scratch. We present three new SD methods that remove this shared-vocabulary constraint. All three methods preserve the target distribution (i.e., they are lossless) and work with off-the-shelf models without requiring additional training or modifications. Empirically, on summarization, programming, and long-context tasks, our algorithms demonstrate significant speedups of up to 2.8x over standard autoregressive decoding. By enabling any off-the-shelf model to serve as a drafter and requiring no retraining, this work substantially broadens the applicability of the SD framework in practice.

Applications · Neuroscience, Cognitive Science

Yizi Zhang, Yanchen Wang, Mehdi Azabou, Alexandre Andre, Zixuan Wang, Hanrui Lyu, International Brain Laboratory, Eva Dyer, Department of Statistics Liam Paninski, Cole Hurwitz

Recent work has demonstrated that large-scale, multi-animal models are powerful tools for characterizing the relationship between neural activity and behavior. Current large-scale approaches, however, focus exclusively on either predicting neural activity from behavior (encoding) or predicting behavior from neural activity (decoding), limiting their ability to capture the bidirectional relationship between neural activity and behavior. To bridge this gap, we introduce a multimodal, multi-task model that enables simultaneous Neural Encoding and Decoding at Scale (NEDS). Central to our approach is a novel multi-task-masking strategy, which alternates between neural, behavioral, within-modality, and cross-modality masking. We pretrain our method on the International Brain Laboratory (IBL) repeated site dataset, which includes recordings from 83 animals performing the visual decision-making task. In comparison to other large-scale modeling approaches, we demonstrate that NEDS achieves state-of-the-art performance for both encoding and decoding when pretrained on multi-animal data and then fine-tuned on new animals. Surprisingly, NEDS's learned embeddings exhibit emergent properties: even without explicit training, they are highly predictive of the brain regions in each recording. Altogether, our approach is a step towards a foundation model of the brain that enables seamless translation between neural activity and behavior.

Applications · Language, Speech and Dialog

Martin Andrews, Sam Witteveen

Cryptic crossword clues are challenging language tasks for which new test sets are released daily by major newspapers on a global basis. Each cryptic clue contains both the definition of the answer to be placed in the crossword grid (in common with regular crosswords), and ‘wordplay’ that *proves* that the answer is correct (i.e. a human solver can be confident that an answer is correct without needing crossing words as confirmation). This work describes an LLM-based reasoning system built from open-licensed components that solves cryptic clues by (i) hypothesising answers; (ii) proposing wordplay explanations; and (iii) using a verifier system that operates on codified reasoning steps. Overall, this system establishes a new state-of-the-art performance on the challenging Cryptonite dataset of clues from The Times and The Telegraph newspapers in the UK. Because each proved solution is expressed in Python, interpretable wordplay reasoning for proven answers is available for inspection.

Applications · Everything Else

Christian Lange, Max Hamilton, Elijah Cole, Alexander Shepard, Samuel Heinrich, Angela Zhu, Subhransu Maji, Grant Horn, Oisin Mac Aodha

Knowing where a particular species can or cannot be found on Earth is crucial for ecological research and conservation efforts. By mapping the spatial ranges of all species, we would obtain deeper insights into how global biodiversity is affected by climate change and habitat loss. However, accurate range estimates are only available for a relatively small proportion of all known species. For the majority of the remaining species, we typically only have a small number of records denoting the spatial locations where they have previously been observed. We outline a new approach for few-shot species range estimation to address the challenge of accurately estimating the range of a species from limited data. During inference, our model takes a set of spatial locations as input, along with optional metadata such as text or an image, and outputs a species encoding that can be used to predict the range of a previously unseen species in a feedforward manner. We evaluate our approach on two challenging benchmarks, where we obtain state-of-the-art range estimation performance, in a fraction of the compute time, compared to recent alternative approaches.

Reinforcement Learning

Andrew Wagenmaker, Zhiyuan Zhou, Sergey Levine

Developing autonomous agents that quickly explore an environment and adapt their behavior online is a canonical challenge in robotics and machine learning. While humans are able to achieve such fast online exploration and adaptation, often acquiring new information and skills in only a handful of interactions, existing algorithmic approaches tend to rely on random exploration and slow, gradient-based behavior updates. How can we endow autonomous agents with such capabilities on par with humans? Taking inspiration from recent progress on both in-context learning and large-scale behavioral cloning, in this work we propose behavioral exploration: training agents to internalize what it means to explore and adapt in-context over the space of ''expert'' behaviors. To achieve this, given access to a dataset of expert demonstrations, we train a long-context generative model to predict expert actions conditioned on a context of past observations and a measure of how ''exploratory'' the expert's behaviors are relative to this context. This enables the model to not only mimic the behavior of an expert, but also, by feeding its past history of interactions into its context, to select different expert behaviors than what have been previously selected, thereby allowing for fast online adaptation and targeted, ''expert-like'' exploration. We demonstrate the effectiveness of our method in both simulated locomotion and manipulation settings, as well as on real-world robotic manipulation tasks, illustrating its ability to learn adaptive, exploratory behavior.

Deep Learning · Other Representation Learning

Yaoqin He, Junchen Fu, Kaiwen Zheng, Songpei Xu, Fuhai Chen, Jie Li, Joemon Jose, Xuri Ge

In this paper, we present a novel approach, termed Double-Filter,to “slim down” the fine-tuning process of vision-language pre-trained (VLP) models via filtering redundancies in feature inputs and architectural components. We enhance the fine-tuning process using two approaches. First, we develop a new patch selection method incorporating image patch filtering through background and foreground separation, followed by a refined patch selection process. Second, we design a genetic algorithm to eliminate redundant fine-grained architecture layers, improving the efficiency and effectiveness of the model. The former makes patch selection semantics more comprehensive, improving inference efficiency while ensuring semantic representation. The latter’s fine-grained layer filter removes architectural redundancy to the extent possible and mitigates the impact on performance. Experimental results demonstrate that the proposed Double-Filter achieves superior efficiency of model fine-tuning and maintains competitive performance compared with the advanced efficient fine-tuning methods on three downstream tasks, VQA, NLVR and Retrieval. In addition, it has been proven to be effective under METER and ViLT VLP models.