Daily Papers

The reflection superposition phenomenon is complex and widely distributed in the real world, which derives various simplified linear and nonlinear formulations of the problem. In this paper, based on the investigation of the weaknesses of existing models, we propose a more general form of the superposition model by introducing a learnable residue term, which can effectively capture residual information during decomposition, guiding the separated layers to be complete. In order to fully capitalize on its advantages, we further design the network structure elaborately, including a novel dual-stream interaction mechanism and a powerful decomposition network with a semantic pyramid encoder. Extensive experiments and ablation studies are conducted to verify our superiority over state-of-the-art approaches on multiple real-world benchmark datasets. Our code is publicly available at https://github.com/mingcv/DSRNet.

Deep learning techniques are increasingly applied to scientific problems, where the precision of networks is crucial. Despite being deemed as universal function approximators, neural networks, in practice, struggle to reduce the prediction errors below O(10^{-5}) even with large network size and extended training iterations. To address this issue, we developed the multi-stage neural networks that divides the training process into different stages, with each stage using a new network that is optimized to fit the residue from the previous stage. Across successive stages, the residue magnitudes decreases substantially and follows an inverse power-law relationship with the residue frequencies. The multi-stage neural networks effectively mitigate the spectral biases associated with regular neural networks, enabling them to capture the high frequency feature of target functions. We demonstrate that the prediction error from the multi-stage training for both regression problems and physics-informed neural networks can nearly reach the machine-precision O(10^{-16}) of double-floating point within a finite number of iterations. Such levels of accuracy are rarely attainable using single neural networks alone.

Large Language Models (LLMs) can comply with harmful instructions, raising serious safety concerns despite their impressive capabilities. Recent work has leveraged probing-based approaches to study the separability of malicious and benign inputs in LLMs' internal representations, and researchers have proposed using such probing methods for safety detection. We systematically re-examine this paradigm. Motivated by poor out-of-distribution performance, we hypothesize that probes learn superficial patterns rather than semantic harmfulness. Through controlled experiments, we confirm this hypothesis and identify the specific patterns learned: instructional patterns and trigger words. Our investigation follows a systematic approach, progressing from demonstrating comparable performance of simple n-gram methods, to controlled experiments with semantically cleaned datasets, to detailed analysis of pattern dependencies. These results reveal a false sense of security around current probing-based approaches and highlight the need to redesign both models and evaluation protocols, for which we provide further discussions in the hope of suggesting responsible further research in this direction. We have open-sourced the project at https://github.com/WangCheng0116/Why-Probe-Fails.

Recently, efficient fine-tuning of large-scale pre-trained models has attracted increasing research interests, where linear probing (LP) as a fundamental module is involved in exploiting the final representations for task-dependent classification. However, most of the existing methods focus on how to effectively introduce a few of learnable parameters, and little work pays attention to the commonly used LP module. In this paper, we propose a novel Moment Probing (MP) method to further explore the potential of LP. Distinguished from LP which builds a linear classification head based on the mean of final features (e.g., word tokens for ViT) or classification tokens, our MP performs a linear classifier on feature distribution, which provides the stronger representation ability by exploiting richer statistical information inherent in features. Specifically, we represent feature distribution by its characteristic function, which is efficiently approximated by using first- and second-order moments of features. Furthermore, we propose a multi-head convolutional cross-covariance (MHC^3) to compute second-order moments in an efficient and effective manner. By considering that MP could affect feature learning, we introduce a partially shared module to learn two recalibrating parameters (PSRP) for backbones based on MP, namely MP_{+}. Extensive experiments on ten benchmarks using various models show that our MP significantly outperforms LP and is competitive with counterparts at less training cost, while our MP_{+} achieves state-of-the-art performance.

Discovering novel concepts in unlabelled datasets and in a continuous manner is an important desideratum of lifelong learners. In the literature such problems have been partially addressed under very restricted settings, where novel classes are learned by jointly accessing a related labelled set (e.g., NCD) or by leveraging only a supervisedly pre-trained model (e.g., class-iNCD). In this work we challenge the status quo in class-iNCD and propose a learning paradigm where class discovery occurs continuously and truly unsupervisedly, without needing any related labelled set. In detail, we propose to exploit the richer priors from strong self-supervised pre-trained models (PTM). To this end, we propose simple baselines, composed of a frozen PTM backbone and a learnable linear classifier, that are not only simple to implement but also resilient under longer learning scenarios. We conduct extensive empirical evaluation on a multitude of benchmarks and show the effectiveness of our proposed baselines when compared with sophisticated state-of-the-art methods. The code is open source.

Given the prevalence of large language models (LLMs) and the prohibitive cost of training these models from scratch, dynamically forgetting specific knowledge e.g., private or proprietary, without retraining the model has become an important capability. This paper proposes a novel method to achieve this objective called UNLEARN. The approach builds upon subspace methods to identify and specifically target the removal of knowledge without adversely affecting other knowledge in the LLM. Results demonstrate 96% of targeted knowledge can be forgotten while maintaining performance on other knowledge within 2.5% of the original model, significantly outperforming the discriminatory abilities of the previous state-of-the-art. A dual method called LEARN is also proposed for targeted knowledge addition. Results show LEARN can match the fine-tuning accuracy of Low-Rank Adaptation (LoRA) without adversely affecting similar tasks.

Supervised Fine-Tuning (SFT) serves as a crucial phase in aligning Large Language Models (LLMs) to specific task prerequisites. The selection of fine-tuning data profoundly influences the model's performance, whose principle is traditionally grounded in data quality and distribution. In this paper, we introduce a new dimension in SFT data selection: learnability. This new dimension is motivated by the intuition that SFT unlocks capabilities acquired by a LLM during the pretraining phase. Given that different pretrained models have disparate capabilities, the SFT data appropriate for one may not suit another. Thus, we introduce the term learnability to define the suitability of data for effective learning by the model. We present the Loss Based SFT Data Selection (LoBaSS) method, utilizing data learnability as the principal criterion for the selection SFT data. This method provides a nuanced approach, allowing the alignment of data selection with inherent model capabilities, ensuring optimal compatibility and learning efficiency. In experimental comparisons involving 7B and 13B models, our LoBaSS method is able to surpass full-data fine-tuning at merely 6% of the total training data. When employing 16.7% of the data, LoBaSS harmonizes the model's capabilities across conversational and mathematical domains, proving its efficacy and adaptability.

Learned Sparse Retrievers (LSR) have evolved into an effective retrieval strategy that can bridge the gap between traditional keyword-based sparse retrievers and embedding-based dense retrievers. At its core, learned sparse retrievers try to learn the most important semantic keyword expansions from a query and/or document which can facilitate better retrieval with overlapping keyword expansions. LSR like SPLADE has typically been using encoder only models with MLM (masked language modeling) style objective in conjunction with known ways of retrieval performance improvement such as hard negative mining, distillation, etc. In this work, we propose to use decoder-only model for learning semantic keyword expansion. We posit, decoder only models that have seen much higher magnitudes of data are better equipped to learn keyword expansions needed for improved retrieval. We use Mistral as the backbone to develop our Learned Sparse Retriever similar to SPLADE and train it on a subset of sentence-transformer data which is often used for training text embedding models. Our experiments support the hypothesis that a sparse retrieval model based on decoder only large language model (LLM) surpasses the performance of existing LSR systems, including SPLADE and all its variants. The LLM based model (Echo-Mistral-SPLADE) now stands as a state-of-the-art learned sparse retrieval model on the BEIR text retrieval benchmark.

Rote learning is a memorization technique based on repetition. It is commonly believed to hinder generalization by encouraging verbatim memorization rather than deeper understanding. This insight holds for even learning factual knowledge that inevitably requires a certain degree of memorization. In this work, we demonstrate that LLMs can be trained to generalize from rote memorized data. We introduce a two-phase memorize-then-generalize framework, where the model first rote memorizes factual subject-object associations using a semantically meaningless token and then learns to generalize by fine-tuning on a small set of semantically meaningful prompts. Extensive experiments over 8 LLMs show that the models can reinterpret rote memorized data through the semantically meaningful prompts, as evidenced by the emergence of structured, semantically aligned latent representations between the two. This surprising finding opens the door to both effective and efficient knowledge injection and possible risks of repurposing the memorized data for malicious usage.

Despite significant progress of generative models in the natural sciences, their controllability remains challenging. One fundamentally missing aspect of molecular or protein generative models is an inductive bias that can reflect continuous properties of interest. To that end, we propose the Regression Transformer (RT), a novel method that abstracts regression as a conditional sequence modeling problem. This introduces a new paradigm of multitask language models which seamlessly bridge sequence regression and conditional sequence generation. We thoroughly demonstrate that, despite using a nominal-scale training objective, the RT matches or surpasses the performance of conventional regression models in property prediction tasks of small molecules, proteins and chemical reactions. Critically, priming the same model with continuous properties yields a highly competitive conditional generative model that outperforms specialized approaches in a substructure-constrained, property-driven molecule generation benchmark. Our dichotomous approach is facilitated by a novel, alternating training scheme that enables the model to decorate seed sequences by desired properties, e.g., to optimize reaction yield. In sum, the RT is the first report of a multitask model that concurrently excels at predictive and generative tasks in biochemistry. This finds particular application in property-driven, local exploration of the chemical or protein space and could pave the road toward foundation models in material design. The code to reproduce all experiments of the paper is available at: https://github.com/IBM/regression-transformer

While large language models (LLMs) show promise in scientific discovery, existing research focuses on inference or feedback-driven training, leaving the direct modeling of the generative reasoning process, P(hypothesis|background) (P(h|b)), unexplored. We demonstrate that directly training P(h|b) is mathematically intractable due to the combinatorial complexity (O(N^k)) inherent in retrieving and composing inspirations from a vast knowledge base. To break this barrier, we introduce MOOSE-Star, a unified framework enabling tractable training and scalable inference. In the best case, MOOSE-Star reduces complexity from exponential to logarithmic (O(log N)) by (1) training on decomposed subtasks derived from the probabilistic equation of discovery, (2) employing motivation-guided hierarchical search to enable logarithmic retrieval and prune irrelevant subspaces, and (3) utilizing bounded composition for robustness against retrieval noise. To facilitate this, we release TOMATO-Star, a dataset of 108,717 decomposed papers (38,400 GPU hours) for training. Furthermore, we show that while brute-force sampling hits a ''complexity wall,'' MOOSE-Star exhibits continuous test-time scaling.

In symbolic regression, the goal is to find an analytical expression that accurately fits experimental data with the minimal use of mathematical symbols such as operators, variables, and constants. However, the combinatorial space of possible expressions can make it challenging for traditional evolutionary algorithms to find the correct expression in a reasonable amount of time. To address this issue, Neural Symbolic Regression (NSR) algorithms have been developed that can quickly identify patterns in the data and generate analytical expressions. However, these methods, in their current form, lack the capability to incorporate user-defined prior knowledge, which is often required in natural sciences and engineering fields. To overcome this limitation, we propose a novel neural symbolic regression method, named Neural Symbolic Regression with Hypothesis (NSRwH) that enables the explicit incorporation of assumptions about the expected structure of the ground-truth expression into the prediction process. Our experiments demonstrate that the proposed conditioned deep learning model outperforms its unconditioned counterparts in terms of accuracy while also providing control over the predicted expression structure.

We consider the problem of conformal prediction under covariate shift. Given labeled data from a source domain and unlabeled data from a covariate shifted target domain, we seek to construct prediction sets with valid marginal coverage in the target domain. Most existing methods require estimating the unknown likelihood ratio function, which can be prohibitive for high-dimensional data such as images. To address this challenge, we introduce the likelihood ratio regularized quantile regression (LR-QR) algorithm, which combines the pinball loss with a novel choice of regularization in order to construct a threshold function without directly estimating the unknown likelihood ratio. We show that the LR-QR method has coverage at the desired level in the target domain, up to a small error term that we can control. Our proofs draw on a novel analysis of coverage via stability bounds from learning theory. Our experiments demonstrate that the LR-QR algorithm outperforms existing methods on high-dimensional prediction tasks, including a regression task for the Communities and Crime dataset, an image classification task from the WILDS repository, and an LLM question-answering task on the MMLU benchmark.

The development of effective explainability tools for Transformers is a crucial pursuit in deep learning research. One of the most promising approaches in this domain is Layer-wise Relevance Propagation (LRP), which propagates relevance scores backward through the network to the input space by redistributing activation values based on predefined rules. However, existing LRP-based methods for Transformer explainability entirely overlook a critical component of the Transformer architecture: its positional encoding (PE), resulting in violation of the conservation property, and the loss of an important and unique type of relevance, which is also associated with structural and positional features. To address this limitation, we reformulate the input space for Transformer explainability as a set of position-token pairs. This allows us to propose specialized theoretically-grounded LRP rules designed to propagate attributions across various positional encoding methods, including Rotary, Learnable, and Absolute PE. Extensive experiments with both fine-tuned classifiers and zero-shot foundation models, such as LLaMA 3, demonstrate that our method significantly outperforms the state-of-the-art in both vision and NLP explainability tasks. Our code is publicly available.

We propose Latent Terms, a method revealing that models trained for dense retrieval, whether single- or multi-vector, learn representations that can trivially be decomposed into retrieval-ready sparse features. When trained on frozen retrievers, Sparse Autoencoders without any retrieval-specific adjustments extract a latent vocabulary with approximately Zipfian collection statistics, directly suitable for classical sparse retrieval scoring via BM25. This approach enables sparse retrieval while requiring no learned expansion objective or sparse retrieval supervision whatsoever, and can be readily applied to any dense retriever. Latent Terms is able to match or outperform single-vector scoring methods from its own base model as well as comparable SPLADE variants. In addition, it substantially outperforms its base model on LIMIT, a task specifically designed to highlight the failures of single-vector retrieval. Overall, our results highlight that neural retrievers contain more expressive and indexable structure than their default scoring functions expose, but that other methods can nonetheless be leveraged.

This report presents a unified instruction-based framework for learning generalized text embeddings optimized for both information retrieval (IR) and non-IR tasks. Built upon a decoder-only large language model (Mistral-7B), our approach combines in-context learning, soft supervision, and adaptive hard-negative mining to generate context-aware embeddings without task-specific fine-tuning. Structured instructions and few-shot examples are used to guide the model across diverse tasks, enabling strong performance on classification, semantic similarity, clustering, and reranking benchmarks. To improve semantic discrimination, we employ a soft labeling framework where continuous relevance scores, distilled from a high-performance dense retriever and reranker, serve as fine-grained supervision signals. In addition, we introduce adaptive margin-based hard-negative mining, which filters out semantically ambiguous negatives based on their similarity to positive examples, thereby enhancing training stability and retrieval robustness. Our model is evaluated on the newly introduced MTEB (English, v2) benchmark, covering 41 tasks across seven categories. Results show that our method achieves strong generalization and ranks among the top-performing models by Borda score, outperforming several larger or fully fine-tuned baselines. These findings highlight the effectiveness of combining in-context prompting, soft supervision, and adaptive sampling for scalable, high-quality embedding generation.

We present a novel method for symbolic regression (SR), the task of searching for compact programmatic hypotheses that best explain a dataset. The problem is commonly solved using genetic algorithms; we show that we can enhance such methods by inducing a library of abstract textual concepts. Our algorithm, called LaSR, uses zero-shot queries to a large language model (LLM) to discover and evolve concepts occurring in known high-performing hypotheses. We discover new hypotheses using a mix of standard evolutionary steps and LLM-guided steps (obtained through zero-shot LLM queries) conditioned on discovered concepts. Once discovered, hypotheses are used in a new round of concept abstraction and evolution. We validate LaSR on the Feynman equations, a popular SR benchmark, as well as a set of synthetic tasks. On these benchmarks, LaSR substantially outperforms a variety of state-of-the-art SR approaches based on deep learning and evolutionary algorithms. Moreover, we show that LaSR can be used to discover a novel and powerful scaling law for LLMs.

Learnable embedding vector is one of the most important applications in machine learning, and is widely used in various database-related domains. However, the high dimensionality of sparse data in recommendation tasks and the huge volume of corpus in retrieval-related tasks lead to a large memory consumption of the embedding table, which poses a great challenge to the training and deployment of models. Recent research has proposed various methods to compress the embeddings at the cost of a slight decrease in model quality or the introduction of other overheads. Nevertheless, the relative performance of these methods remains unclear. Existing experimental comparisons only cover a subset of these methods and focus on limited metrics. In this paper, we perform a comprehensive comparative analysis and experimental evaluation of embedding compression. We introduce a new taxonomy that categorizes these techniques based on their characteristics and methodologies, and further develop a modular benchmarking framework that integrates 14 representative methods. Under a uniform test environment, our benchmark fairly evaluates each approach, presents their strengths and weaknesses under different memory budgets, and recommends the best method based on the use case. In addition to providing useful guidelines, our study also uncovers the limitations of current methods and suggests potential directions for future research.

Conventional supervised learning typically assumes that the learning task can be solved by learning a single function since the data is sampled from a fixed distribution. However, this assumption is invalid in open-ended environments where no task-level data partitioning is available. In this paper, we present a novel supervised learning framework of learning from open-ended data, which is modeled as data implicitly sampled from multiple domains with the data in each domain obeying a domain-specific target function. Since different domains may possess distinct target functions, open-ended data inherently requires multiple functions to capture all its input-output relations, rendering training a single global model problematic. To address this issue, we devise an Open-ended Supervised Learning (OSL) framework, of which the key component is a subjective function that allocates the data among multiple candidate models to resolve the "conflict" between the data from different domains, exhibiting a natural hierarchy. We theoretically analyze the learnability and the generalization error of OSL, and empirically validate its efficacy in both open-ended regression and classification tasks.

With the increasing numbers of publicly available models, there are probably pretrained, online models for most tasks users require. However, current model search methods are rudimentary, essentially a text-based search in the documentation, thus users cannot find the relevant models. This paper presents ProbeLog, a method for retrieving classification models that can recognize a target concept, such as "Dog", without access to model metadata or training data. Differently from previous probing methods, ProbeLog computes a descriptor for each output dimension (logit) of each model, by observing its responses on a fixed set of inputs (probes). Our method supports both logit-based retrieval ("find more logits like this") and zero-shot, text-based retrieval ("find all logits corresponding to dogs"). As probing-based representations require multiple costly feedforward passes through the model, we develop a method, based on collaborative filtering, that reduces the cost of encoding repositories by 3x. We demonstrate that ProbeLog achieves high retrieval accuracy, both in real-world and fine-grained search tasks and is scalable to full-size repositories.

The equivalence of realizable and agnostic learnability is a fundamental phenomenon in learning theory. With variants ranging from classical settings like PAC learning and regression to recent trends such as adversarially robust learning, it's surprising that we still lack a unified theory; traditional proofs of the equivalence tend to be disparate, and rely on strong model-specific assumptions like uniform convergence and sample compression. In this work, we give the first model-independent framework explaining the equivalence of realizable and agnostic learnability: a three-line blackbox reduction that simplifies, unifies, and extends our understanding across a wide variety of settings. This includes models with no known characterization of learnability such as learning with arbitrary distributional assumptions and more general loss functions, as well as a host of other popular settings such as robust learning, partial learning, fair learning, and the statistical query model. More generally, we argue that the equivalence of realizable and agnostic learning is actually a special case of a broader phenomenon we call property generalization: any desirable property of a learning algorithm (e.g. noise tolerance, privacy, stability) that can be satisfied over finite hypothesis classes extends (possibly in some variation) to any learnable hypothesis class.

Retrieval-Augmented Generation (RAG) systems remain brittle under realistic retrieval noise, even when the required evidence appears in the top-K results. A key reason is that retrievers and rerankers optimize solely for relevance, often selecting either trivial, answer-revealing passages or evidence that lacks the critical information required to answer the question, without considering whether the evidence is suitable for the generator. We propose BAR-RAG, which reframes the reranker as a boundary-aware evidence selector that targets the generator's Goldilocks Zone -- evidence that is neither trivially easy nor fundamentally unanswerable for the generator, but is challenging yet sufficient for inference and thus provides the strongest learning signal. BAR-RAG trains the selector with reinforcement learning using generator feedback, and adopts a two-stage pipeline that fine-tunes the generator under the induced evidence distribution to mitigate the distribution mismatch between training and inference. Experiments on knowledge-intensive question answering benchmarks show that BAR-RAG consistently improves end-to-end performance under noisy retrieval, achieving an average gain of 10.3 percent over strong RAG and reranking baselines while substantially improving robustness. Code is publicly avaliable at https://github.com/GasolSun36/BAR-RAG.

Most positive and unlabeled data is subject to selection biases. The labeled examples can, for example, be selected from the positive set because they are easier to obtain or more obviously positive. This paper investigates how learning can be ena BHbled in this setting. We propose and theoretically analyze an empirical-risk-based method for incorporating the labeling mechanism. Additionally, we investigate under which assumptions learning is possible when the labeling mechanism is not fully understood and propose a practical method to enable this. Our empirical analysis supports the theoretical results and shows that taking into account the possibility of a selection bias, even when the labeling mechanism is unknown, improves the trained classifiers.

Text embedding models have been popular for information retrieval applications such as semantic search and Question-Answering systems based on Retrieval-Augmented Generation (RAG). Those models are typically Transformer models that are fine-tuned with contrastive learning objectives. Many papers introduced new embedding model architectures and training approaches, however, one of the key ingredients, the process of mining negative passages, remains poorly explored or described. One of the challenging aspects of fine-tuning embedding models is the selection of high quality hard-negative passages for contrastive learning. In this paper we propose a family of positive-aware mining methods that leverage the positive relevance score for more effective false negatives removal. We also provide a comprehensive ablation study on hard-negative mining methods over their configurations, exploring different teacher and base models. We demonstrate the efficacy of our proposed methods by introducing the NV-Retriever-v1 model, which scores 60.9 on MTEB Retrieval (BEIR) benchmark and 0.65 points higher than previous methods. The model placed 1st when it was published to MTEB Retrieval on July 07, 2024.

Reinforcement finetuning (RFT) has become a standard approach for enhancing the reasoning capabilities of large language models (LLMs). However, its impact on model trustworthiness remains underexplored. In this work, we identify and systematically study a critical side effect of RFT, which we term the hallucination tax: a degradation in refusal behavior causing models to produce hallucinated answers to unanswerable questions confidently. To investigate this, we introduce SUM (Synthetic Unanswerable Math), a high-quality dataset of unanswerable math problems designed to probe models' ability to recognize an unanswerable question by reasoning from the insufficient or ambiguous information. Our results show that standard RFT training could reduce model refusal rates by more than 80%, which significantly increases model's tendency to hallucinate. We further demonstrate that incorporating just 10% SUM during RFT substantially restores appropriate refusal behavior, with minimal accuracy trade-offs on solvable tasks. Crucially, this approach enables LLMs to leverage inference-time compute to reason about their own uncertainty and knowledge boundaries, improving generalization not only to out-of-domain math problems but also to factual question answering tasks.

Current parameter-efficient fine-tuning (PEFT) methods build adapters without considering the context of downstream task to learn, or the context of important knowledge to maintain. As a result, there is often a performance gap compared to full-parameter finetuning, and meanwhile the finetuned model suffers from catastrophic forgetting of the pre-trained world knowledge. In this paper, we propose CorDA, a Context-oriented Decomposition Adaptation method that builds learnable adapters from weight decomposition oriented by the context of downstream task or world knowledge. Concretely, we collect a few data samples, and perform singular value decomposition for each linear layer of a pre-trained LLM multiplied by the covariance matrix of the input activation using these samples. By doing so, the context of the representative samples is captured through deciding the factorizing orientation. Our method enables two options, the knowledge-preserved adaptation and the instruction-previewed adaptation. For the former, we use question-answering samples to obtain the covariance matrices, and use the decomposed components with the smallest r singular values to initialize a learnable adapter, with the others frozen such that the world knowledge is better preserved. For the latter, we use the instruction data from the finetuning task, such as math or coding, to orientate the decomposition and train the largest r components that capture the main characteristics of the task to learn. We conduct extensive experiments on Math, Code, and Instruction Following tasks. Our knowledge-preserved adaptation not only achieves better performance than LoRA on finetuning tasks, but also mitigates the forgetting of world knowledge. Our instruction-previewed adaptation is able to further enhance the finetuning performance, surpassing full-parameter finetuning and the state-of-the-art PEFT methods.

Probing studies what information is encoded in a frozen LLM's layer representations by training a lightweight predictor on top of them. Beyond analysis, probes are often used operationally in probe-then-steer pipelines: a learned concept vector is extracted from a probe and injected via additive activation steering by adding it to a layer representation during the forward pass. The effectiveness of this pipeline hinges on estimating concept vectors that are accurate, directionally stable under ablation, and inexpensive to obtain. Motivated by these desiderata, we propose RAPTOR (Ridge-Adaptive Logistic Probe), a simple L2-regularized logistic probe whose validation-tuned ridge strength yields concept vectors from normalized weights. Across extensive experiments on instruction-tuned LLMs and human-written concept datasets, RAPTOR matches or exceeds strong baselines in accuracy while achieving competitive directional stability and substantially lower training cost; these quantitative results are supported by qualitative downstream steering demonstrations. Finally, using the Convex Gaussian Min-max Theorem (CGMT), we provide a mechanistic characterization of ridge logistic regression in an idealized Gaussian teacher-student model in the high-dimensional few-shot regime, explaining how penalty strength mediates probe accuracy and concept-vector stability and yielding structural predictions that qualitatively align with trends observed on real LLM embeddings.

We study the problem of teaching multiple learners simultaneously in the nonparametric iterative teaching setting, where the teacher iteratively provides examples to the learner for accelerating the acquisition of a target concept. This problem is motivated by the gap between current single-learner teaching setting and the real-world scenario of human instruction where a teacher typically imparts knowledge to multiple students. Under the new problem formulation, we introduce a novel framework -- Multi-learner Nonparametric Teaching (MINT). In MINT, the teacher aims to instruct multiple learners, with each learner focusing on learning a scalar-valued target model. To achieve this, we frame the problem as teaching a vector-valued target model and extend the target model space from a scalar-valued reproducing kernel Hilbert space used in single-learner scenarios to a vector-valued space. Furthermore, we demonstrate that MINT offers significant teaching speed-up over repeated single-learner teaching, particularly when the multiple learners can communicate with each other. Lastly, we conduct extensive experiments to validate the practicality and efficiency of MINT.

A key property of deep neural networks (DNNs) is their ability to learn new features during training. This intriguing aspect of deep learning stands out most clearly in recently reported Grokking phenomena. While mainly reflected as a sudden increase in test accuracy, Grokking is also believed to be a beyond lazy-learning/Gaussian Process (GP) phenomenon involving feature learning. Here we apply a recent development in the theory of feature learning, the adaptive kernel approach, to two teacher-student models with cubic-polynomial and modular addition teachers. We provide analytical predictions on feature learning and Grokking properties of these models and demonstrate a mapping between Grokking and the theory of phase transitions. We show that after Grokking, the state of the DNN is analogous to the mixed phase following a first-order phase transition. In this mixed phase, the DNN generates useful internal representations of the teacher that are sharply distinct from those before the transition.

One method for obtaining generalizable solutions to machine learning tasks when presented with diverse training environments is to find invariant representations of the data. These are representations of the covariates such that the best model on top of the representation is invariant across training environments. In the context of linear Structural Equation Models (SEMs), invariant representations might allow us to learn models with out-of-distribution guarantees, i.e., models that are robust to interventions in the SEM. To address the invariant representation problem in a {\em finite sample} setting, we consider the notion of epsilon-approximate invariance. We study the following question: If a representation is approximately invariant with respect to a given number of training interventions, will it continue to be approximately invariant on a larger collection of unseen SEMs? This larger collection of SEMs is generated through a parameterized family of interventions. Inspired by PAC learning, we obtain finite-sample out-of-distribution generalization guarantees for approximate invariance that holds probabilistically over a family of linear SEMs without faithfulness assumptions. Our results show bounds that do not scale in ambient dimension when intervention sites are restricted to lie in a constant size subset of in-degree bounded nodes. We also show how to extend our results to a linear indirect observation model that incorporates latent variables.

A significant use case of instruction-finetuned Large Language Models (LLMs) is to solve question-answering tasks interactively. In this setting, an LLM agent is tasked with making a prediction by sequentially querying relevant information from the user, as opposed to a single-turn conversation. This paper explores sequential querying strategies that aim to minimize the expected number of queries. One such strategy is Information Pursuit (IP), a greedy algorithm that at each iteration selects the query that maximizes information gain or equivalently minimizes uncertainty. However, obtaining accurate estimates of mutual information or conditional entropy for LLMs is very difficult in practice due to over- or under-confident LLM probabilities, which leads to suboptimal query selection and predictive performance. To better estimate the uncertainty at each iteration, we propose Conformal Information Pursuit (C-IP), an alternative approach to sequential information gain based on conformal prediction sets. More specifically, C-IP leverages a relationship between prediction sets and conditional entropy at each iteration to estimate uncertainty based on the average size of conformal prediction sets. In contrast to conditional entropy, we find that conformal prediction sets are a distribution-free and robust method of measuring uncertainty. Experiments with 20 Questions show that C-IP obtains better predictive performance and shorter query-answer chains compared to previous approaches to IP and uncertainty-based chain-of-thought methods. Furthermore, extending to an interactive medical setting between a doctor and a patient on the MediQ dataset, C-IP achieves competitive performance with direct single-turn prediction while offering greater interpretability.

Static benchmarks measure a model frozen at training time. Real systems face distribution shift: new categories, paraphrased queries, drift: and must recover online via user corrections. No existing benchmark measures recovery speed under correction streams. We introduce OCRR (Online Correction Recovery Rate): a benchmark that streams a corpus through a classification system, applies oracle or stochastic corrections to wrong predictions, and reports two curves: novel-class accuracy and original-distribution accuracy versus correction count. We evaluate the substrate alongside nine baseline algorithms from five families plus seven bounded-storage variants of the substrate for the Pareto sweep, including standard online-learning baselines (river), continual-learning methods (EWC, A-GEM, LwF), retrieval/parametric hybrids (kNN-LM), parameter-efficient fine-tuning of a 1.5 B-parameter encoder (LoRA on DeBERTa-v3-large), and a hash-chained append-only substrate (Substrate). On Banking77 and CLINC150, under oracle and sparse correction policies, the substrate is the only system that simultaneously recovers novel-class accuracy (88.7 +/- 2.9 %) and retains original-distribution accuracy (95.4 +/- 0.8 %) beating the next-best published continual-learning baseline by 32.6 percentage points at equal memory budget, and beating LoRA-on-DeBERTa-v3-large by 84.6 percentage points on retention. We further find that classification accuracy remains stable at 99 % even as approximate-nearest-neighbour recall@5 degrades from 0.69 to 0.23 across 10 k to 10 M corpus scales, suggesting the substrate's margin-band majority vote is robust to retrieval imperfection in a way that pure top-k recall metrics do not predict. Code and data are available at https://github.com/adriangrassi/ocrr-benchmark.

We present a novel framework for learning on CW-complex structured data points. Recent advances have discussed CW-complexes as ideal learning representations for problems in cheminformatics. However, there is a lack of available machine learning methods suitable for learning on CW-complexes. In this paper we develop notions of convolution and attention that are well defined for CW-complexes. These notions enable us to create the first Hodge informed neural network that can receive a CW-complex as input. We illustrate and interpret this framework in the context of supervised prediction.

Learned sparse retrieval (LSR) is a family of neural retrieval methods that transform queries and documents into sparse weight vectors aligned with a vocabulary. While LSR approaches like Splade work well for short passages, it is unclear how well they handle longer documents. We investigate existing aggregation approaches for adapting LSR to longer documents and find that proximal scoring is crucial for LSR to handle long documents. To leverage this property, we proposed two adaptations of the Sequential Dependence Model (SDM) to LSR: ExactSDM and SoftSDM. ExactSDM assumes only exact query term dependence, while SoftSDM uses potential functions that model the dependence of query terms and their expansion terms (i.e., terms identified using a transformer's masked language modeling head). Experiments on the MSMARCO Document and TREC Robust04 datasets demonstrate that both ExactSDM and SoftSDM outperform existing LSR aggregation approaches for different document length constraints. Surprisingly, SoftSDM does not provide any performance benefits over ExactSDM. This suggests that soft proximity matching is not necessary for modeling term dependence in LSR. Overall, this study provides insights into handling long documents with LSR, proposing adaptations that improve its performance.

We propose RaDeR, a set of reasoning-based dense retrieval models trained with data derived from mathematical problem solving using large language models (LLMs). Our method leverages retrieval-augmented reasoning trajectories of an LLM and self-reflective relevance evaluation, enabling the creation of both diverse and hard-negative samples for reasoning-intensive relevance. RaDeR retrievers, trained for mathematical reasoning, effectively generalize to diverse reasoning tasks in the BRIGHT and RAR-b benchmarks, consistently outperforming strong baselines in overall performance. Notably, RaDeR achieves significantly higher performance than baselines on the Math and Coding splits. In addition, RaDeR presents the first dense retriever that outperforms BM25 when queries are Chain-of-Thought reasoning steps, underscoring the critical role of reasoning-based retrieval to augment reasoning language models. Furthermore, RaDeR achieves comparable or superior performance while using only 2.5% of the training data used by the concurrent work REASONIR, highlighting the quality of our synthesized training data.

Process or step-wise supervision has played a crucial role in advancing complex multi-step reasoning capabilities of Large Language Models (LLMs). However, efficient, high-quality automated process annotation remains a significant challenge. To address this, we introduce Single-Pass Annotation with Reference-Guided Evaluation (SPARE), a novel structured framework that enables single-pass, per-step annotation by aligning each solution step to one or multiple steps in a reference solution, accompanied by explicit reasoning for evaluation. We show that reference-guided step-level evaluation effectively facilitates process supervision on four datasets spanning three domains: mathematical reasoning, multi-hop compositional question answering, and spatial reasoning. We demonstrate that SPARE, when compared to baselines, improves reasoning performance when used for: (1) fine-tuning models in an offline RL setup for inference-time greedy-decoding, and (2) training reward models for ranking/aggregating multiple LLM-generated outputs. Additionally, SPARE achieves competitive performance on challenging mathematical datasets while offering 2.6 times greater efficiency, requiring only 38% of the runtime, compared to tree search-based automatic annotation. The codebase, along with a trained SPARE-PRM model, is publicly released to facilitate further research and reproducibility.

Retrieval-Augmented Generation (RAG) has proven to be an effective method for mitigating hallucination issues inherent in large language models (LLMs). Previous approaches typically train retrievers based on semantic similarity, lacking optimization for RAG. More recent works have proposed aligning retrievers with the preference signals of LLMs. However, these preference signals are often difficult for dense retrievers, which typically have weaker language capabilities, to understand and learn effectively. Drawing inspiration from pedagogical theories like Guided Discovery Learning, we propose a novel framework, FiGRet (Fine-grained Guidance for Retrievers), which leverages the language capabilities of LLMs to construct examples from a more granular, information-centric perspective to guide the learning of retrievers. Specifically, our method utilizes LLMs to construct easy-to-understand examples from samples where the retriever performs poorly, focusing on three learning objectives highly relevant to the RAG scenario: relevance, comprehensiveness, and purity. These examples serve as scaffolding to ultimately align the retriever with the LLM's preferences. Furthermore, we employ a dual curriculum learning strategy and leverage the reciprocal feedback between LLM and retriever to further enhance the performance of the RAG system. A series of experiments demonstrate that our proposed framework enhances the performance of RAG systems equipped with different retrievers and is applicable to various LLMs.

Empirical Risk Minimization (ERM) is fragile in scenarios with insufficient labeled samples. A vanilla extension of ERM to unlabeled samples is Entropy Minimization (EntMin), which employs the soft-labels of unlabeled samples to guide their learning. However, EntMin emphasizes prediction discriminability while neglecting prediction diversity. To alleviate this issue, in this paper, we rethink the guidance information to utilize unlabeled samples. By analyzing the learning objective of ERM, we find that the guidance information for labeled samples in a specific category is the corresponding label encoding. Inspired by this finding, we propose a Label-Encoding Risk Minimization (LERM). It first estimates the label encodings through prediction means of unlabeled samples and then aligns them with their corresponding ground-truth label encodings. As a result, the LERM ensures both prediction discriminability and diversity, and it can be integrated into existing methods as a plugin. Theoretically, we analyze the relationships between LERM and ERM as well as EntMin. Empirically, we verify the superiority of the LERM under several label insufficient scenarios. The codes are available at https://github.com/zhangyl660/LERM.

Meta learning have achieved promising performance in low-resource text classification which aims to identify target classes with knowledge transferred from source classes with sets of small tasks named episodes. However, due to the limited training data in the meta-learning scenario and the inherent properties of parameterized neural networks, poor generalization performance has become a pressing problem that needs to be addressed. To deal with this issue, we propose a meta-learning based method called Retrieval-Augmented Meta Learning(RAML). It not only uses parameterization for inference but also retrieves non-parametric knowledge from an external corpus to make inferences, which greatly alleviates the problem of poor generalization performance caused by the lack of diverse training data in meta-learning. This method differs from previous models that solely rely on parameters, as it explicitly emphasizes the importance of non-parametric knowledge, aiming to strike a balance between parameterized neural networks and non-parametric knowledge. The model is required to determine which knowledge to access and utilize during inference. Additionally, our multi-view passages fusion network module can effectively and efficiently integrate the retrieved information into low-resource classification task. The extensive experiments demonstrate that RAML significantly outperforms current SOTA low-resource text classification models.

Class-incremental learning (CIL) is a particularly challenging variant of continual learning, where the goal is to learn to discriminate between all classes presented in an incremental fashion. Existing approaches often suffer from excessive forgetting and imbalance of the scores assigned to classes that have not been seen together during training. In this study, we introduce a novel approach, Prediction Error-based Classification (PEC), which differs from traditional discriminative and generative classification paradigms. PEC computes a class score by measuring the prediction error of a model trained to replicate the outputs of a frozen random neural network on data from that class. The method can be interpreted as approximating a classification rule based on Gaussian Process posterior variance. PEC offers several practical advantages, including sample efficiency, ease of tuning, and effectiveness even when data are presented one class at a time. Our empirical results show that PEC performs strongly in single-pass-through-data CIL, outperforming other rehearsal-free baselines in all cases and rehearsal-based methods with moderate replay buffer size in most cases across multiple benchmarks.

Active learning (AL) in open set scenarios presents a novel challenge of identifying the most valuable examples in an unlabeled data pool that comprises data from both known and unknown classes. Traditional methods prioritize selecting informative examples with low confidence, with the risk of mistakenly selecting unknown-class examples with similarly low confidence. Recent methods favor the most probable known-class examples, with the risk of picking simple already mastered examples. In this paper, we attempt to query examples that are both likely from known classes and highly informative, and propose a Bidirectional Uncertainty-based Active Learning (BUAL) framework. Specifically, we achieve this by first pushing the unknown class examples toward regions with high-confidence predictions, i.e., the proposed Random Label Negative Learning method. Then, we propose a Bidirectional Uncertainty sampling strategy by jointly estimating uncertainty posed by both positive and negative learning to perform consistent and stable sampling. BUAL successfully extends existing uncertainty-based AL methods to complex open-set scenarios. Extensive experiments on multiple datasets with varying openness demonstrate that BUAL achieves state-of-the-art performance. The code is available at https://github.com/chenchenzong/BUAL.

This paper considers the learning of logical (Boolean) functions with focus on the generalization on the unseen (GOTU) setting, a strong case of out-of-distribution generalization. This is motivated by the fact that the rich combinatorial nature of data in certain reasoning tasks (e.g., arithmetic/logic) makes representative data sampling challenging, and learning successfully under GOTU gives a first vignette of an 'extrapolating' or 'reasoning' learner. We then study how different network architectures trained by (S)GD perform under GOTU and provide both theoretical and experimental evidence that for a class of network models including instances of Transformers, random features models, and diagonal linear networks, a min-degree-interpolator (MDI) is learned on the unseen. We also provide evidence that other instances with larger learning rates or mean-field networks reach leaky MDIs. These findings lead to two implications: (1) we provide an explanation to the length generalization problem (e.g., Anil et al. 2022); (2) we introduce a curriculum learning algorithm called Degree-Curriculum that learns monomials more efficiently by incrementing supports.

Embedding words in high-dimensional vector spaces has proven valuable in many natural language applications. In this work, we investigate whether similarly-trained embeddings of integers can capture concepts that are useful for mathematical applications. We probe the integer embeddings for mathematical knowledge, apply them to a set of numerical reasoning tasks, and show that by learning the representations from mathematical sequence data, we can substantially improve over number embeddings learned from English text corpora.

Symbolic equations are at the core of scientific discovery. The task of discovering the underlying equation from a set of input-output pairs is called symbolic regression. Traditionally, symbolic regression methods use hand-designed strategies that do not improve with experience. In this paper, we introduce the first symbolic regression method that leverages large scale pre-training. We procedurally generate an unbounded set of equations, and simultaneously pre-train a Transformer to predict the symbolic equation from a corresponding set of input-output-pairs. At test time, we query the model on a new set of points and use its output to guide the search for the equation. We show empirically that this approach can re-discover a set of well-known physical equations, and that it improves over time with more data and compute.

Unsupervised pretraining, which learns a useful representation using a large amount of unlabeled data to facilitate the learning of downstream tasks, is a critical component of modern large-scale machine learning systems. Despite its tremendous empirical success, the rigorous theoretical understanding of why unsupervised pretraining generally helps remains rather limited -- most existing results are restricted to particular methods or approaches for unsupervised pretraining with specialized structural assumptions. This paper studies a generic framework, where the unsupervised representation learning task is specified by an abstract class of latent variable models Phi and the downstream task is specified by a class of prediction functions Psi. We consider a natural approach of using Maximum Likelihood Estimation (MLE) for unsupervised pretraining and Empirical Risk Minimization (ERM) for learning downstream tasks. We prove that, under a mild ''informative'' condition, our algorithm achieves an excess risk of mathcal{O}(mathcal{C_Phi/m} + mathcal{C_Psi/n}) for downstream tasks, where C_Phi, C_Psi are complexity measures of function classes Phi, Psi, and m, n are the number of unlabeled and labeled data respectively. Comparing to the baseline of mathcal{O}(mathcal{C_{Phi circ Psi}/n}) achieved by performing supervised learning using only the labeled data, our result rigorously shows the benefit of unsupervised pretraining when m gg n and C_{Phicirc Psi} > C_Psi. This paper further shows that our generic framework covers a wide range of approaches for unsupervised pretraining, including factor models, Gaussian mixture models, and contrastive learning.

In recent decades, chemistry publications and patents have increased rapidly. A significant portion of key information is embedded in molecular structure figures, complicating large-scale literature searches and limiting the application of large language models in fields such as biology, chemistry, and pharmaceuticals. The automatic extraction of precise chemical structures is of critical importance. However, the presence of numerous Markush structures in real-world documents, along with variations in molecular image quality, drawing styles, and noise, significantly limits the performance of existing optical chemical structure recognition (OCSR) methods. We present MolParser, a novel end-to-end OCSR method that efficiently and accurately recognizes chemical structures from real-world documents, including difficult Markush structure. We use a extended SMILES encoding rule to annotate our training dataset. Under this rule, we build MolParser-7M, the largest annotated molecular image dataset to our knowledge. While utilizing a large amount of synthetic data, we employed active learning methods to incorporate substantial in-the-wild data, specifically samples cropped from real patents and scientific literature, into the training process. We trained an end-to-end molecular image captioning model, MolParser, using a curriculum learning approach. MolParser significantly outperforms classical and learning-based methods across most scenarios, with potential for broader downstream applications. The dataset is publicly available.

Chemical representation learning has gained increasing interest due to the limited availability of supervised data in fields such as drug and materials design. This interest particularly extends to chemical language representation learning, which involves pre-training Transformers on SMILES sequences -- textual descriptors of molecules. Despite its success in molecular property prediction, current practices often lead to overfitting and limited scalability due to early convergence. In this paper, we introduce a novel chemical language representation learning framework, called MolTRES, to address these issues. MolTRES incorporates generator-discriminator training, allowing the model to learn from more challenging examples that require structural understanding. In addition, we enrich molecular representations by transferring knowledge from scientific literature by integrating external materials embedding. Experimental results show that our model outperforms existing state-of-the-art models on popular molecular property prediction tasks.

Class incremental learning (CIL) is a challenging setting of continual learning, which learns a series of tasks sequentially. Each task consists of a set of unique classes. The key feature of CIL is that no task identifier (or task-id) is provided at test time. Predicting the task-id for each test sample is a challenging problem. An emerging theory-guided approach (called TIL+OOD) is to train a task-specific model for each task in a shared network for all tasks based on a task-incremental learning (TIL) method to deal with catastrophic forgetting. The model for each task is an out-of-distribution (OOD) detector rather than a conventional classifier. The OOD detector can perform both within-task (in-distribution (IND)) class prediction and OOD detection. The OOD detection capability is the key to task-id prediction during inference. However, this paper argues that using a traditional OOD detector for task-id prediction is sub-optimal because additional information (e.g., the replay data and the learned tasks) available in CIL can be exploited to design a better and principled method for task-id prediction. We call the new method TPL (Task-id Prediction based on Likelihood Ratio). TPL markedly outperforms strong CIL baselines and has negligible catastrophic forgetting. The code of TPL is publicly available at https://github.com/linhaowei1/TPL.

Representation-based retrieval models, so-called biencoders, estimate the relevance of a document to a query by calculating the similarity of their respective embeddings. Current state-of-the-art biencoders are trained using an expensive training regime involving knowledge distillation from a teacher model and batch-sampling. Instead of relying on a teacher model, we contribute a novel parameter-free loss function for self-supervision that exploits the pre-trained language modeling capabilities of the encoder model as a training signal, eliminating the need for batch sampling by performing implicit hard negative mining. We investigate the capabilities of our proposed approach through extensive ablation studies, demonstrating that self-distillation can match the effectiveness of teacher distillation using only 13.5% of the data, while offering a speedup in training time between 3x and 15x compared to parametrized losses. Code and data is made openly available.

Neural retrievers are often trained on large-scale triplet data comprising a query, a positive passage, and a set of hard negatives. In practice, hard-negative mining can introduce false negatives and other ambiguous negatives, including passages that are relevant or contain partial answers to the query. Such label noise yields inconsistent supervision and can degrade retrieval effectiveness. We propose ARHN (Answer-centric Relabeling of Hard Negatives), a two-stage framework that leverages open-source LLMs to refine hard negative samples using answer-centric relevance signals. In the first stage, for each query-passage pair, ARHN prompts the LLM to generate a passage-grounded answer snippet or to indicate that the passage does not support an answer. In the second stage, ARHN applies an LLM-based listwise ranking over the candidate set to order passages by direct answerability to the query. Passages ranked above the original positive are relabeled to additional positives. Among passages ranked below the positive, ARHN excludes any that contain an answer snippet from the negative set to avoid ambiguous supervision. We evaluated ARHN on the BEIR benchmark under three configurations: relabeling only, filtering only, and their combination. Across datasets, the combined strategy consistently improves over either step in isolation, indicating that jointly relabeling false negatives and filtering ambiguous negatives yields cleaner supervision for training neural retrieval models. By relying strictly on open-source models, ARHN establishes a cost-effective and scalable refinement pipeline suitable for large-scale training.

The output of Large Language Models (LLMs) are a function of the internal model's parameters and the input provided into the context window. The hypothesis presented here is that under a greedy sampling strategy the variance in the LLM's output is a function of the conceptual certainty embedded in the model's parametric knowledge, as well as the lexical variance in the input. Finetuning the model results in reducing the sensitivity of the model output to the lexical input variations. This is then applied to a classification problem and a probabilistic method is proposed for estimating the certainties of the predicted classes.

Dense retrievers often struggle with queries involving less-frequent entities due to their limited entity knowledge. We propose the Knowledgeable Passage Retriever (KPR), a BERT-based retriever enhanced with a context-entity attention layer and dynamically updatable entity embeddings. This design enables KPR to incorporate external entity knowledge without retraining. Experiments on three datasets show that KPR consistently improves retrieval accuracy, achieving a substantial 12.6% gain on the EntityQuestions dataset over the model without KPR extensions. When built on the off-the-shelf bge-base retriever, KPR achieves state-of-the-art performance among similarly sized models on two datasets. Code and models will be released soon.

Although state-of-the-art LLMs can solve math problems, we find that they make errors on numerical comparisons with mixed notation: "Which is larger, 5.7 times 10^2 or 580?" This raises a fundamental question: Do LLMs even know how big these numbers are? We probe the hidden states of several smaller open-source LLMs. A single linear projection of an appropriate hidden layer encodes the log-magnitudes of both kinds of numerals, allowing us to recover the numbers with relative error of about 2.3% (on restricted synthetic text) or 19.06% (on scientific papers). Furthermore, the hidden state after reading a pair of numerals encodes their ranking, with a linear classifier achieving over 90% accuracy. Yet surprisingly, when explicitly asked to rank the same pairs of numerals, these LLMs achieve only 50-70% accuracy, with worse performance for models whose probes are less effective. Finally, we show that incorporating the classifier probe's log-loss as an auxiliary objective during finetuning brings an additional 3.22% improvement in verbalized accuracy over base models, demonstrating that improving models' internal magnitude representations can enhance their numerical reasoning capabilities.

We reinterpret the final Large Language Model (LLM) softmax classifier as an Energy-Based Model (EBM), decomposing the sequence-to-sequence probability chain into multiple interacting EBMs at inference. This principled approach allows us to track "energy spills" during decoding, which we empirically show correlate with factual errors, biases, and failures. Similar to Orgad et al. (2025), our method localizes the exact answer token and subsequently tests for hallucinations. Crucially, however, we achieve this without requiring trained probe classifiers or activation ablations. Instead, we introduce two completely training-free metrics derived directly from output logits: spilled energy, which captures the discrepancy between energy values across consecutive generation steps that should theoretically match, and marginalized energy, which is measurable at a single step. Evaluated on nine benchmarks across state-of-the-art LLMs (including LLaMA, Mistral, and Gemma) and on synthetic algebraic operations (Qwen3), our approach demonstrates robust, competitive hallucination detection and cross-task generalization. Notably, these results hold for both pretrained and instruction-tuned variants without introducing any training overhead. Code available at: github.com/OmnAI-Lab/spilled-energy

We explore the relations between the zeta distribution and algorithmic information theory via a new model of the transfer learning problem. The program distribution is approximated by a zeta distribution with parameter near 1. We model the training sequence as a stochastic process. We analyze the upper temporal bound for learning a training sequence and its entropy rates, assuming an oracle for the transfer learning problem. We argue from empirical evidence that power-law models are suitable for natural processes. Four sequence models are proposed. Random typing model is like no-free lunch where transfer learning does not work. Zeta process independently samples programs from the zeta distribution. A model of common sub-programs inspired by genetics uses a database of sub-programs. An evolutionary zeta process samples mutations from Zeta distribution. The analysis of stochastic processes inspired by evolution suggest that AI may be feasible in nature, countering no-free lunch sort of arguments.

Named entity recognition (NER), which focuses on the extraction of semantically meaningful named entities and their semantic classes from text, serves as an indispensable component for several down-stream natural language processing (NLP) tasks such as relation extraction and event extraction. Dependency trees, on the other hand, also convey crucial semantic-level information. It has been shown previously that such information can be used to improve the performance of NER (Sasano and Kurohashi 2008, Ling and Weld 2012). In this work, we investigate on how to better utilize the structured information conveyed by dependency trees to improve the performance of NER. Specifically, unlike existing approaches which only exploit dependency information for designing local features, we show that certain global structured information of the dependency trees can be exploited when building NER models where such information can provide guided learning and inference. Through extensive experiments, we show that our proposed novel dependency-guided NER model performs competitively with models based on conventional semi-Markov conditional random fields, while requiring significantly less running time.

Class incremental learning (CIL) trains a network on sequential tasks with separated categories but suffers from catastrophic forgetting, where models quickly lose previously learned knowledge when acquiring new tasks. The generalized CIL (GCIL) aims to address the CIL problem in a more real-world scenario, where incoming data have mixed data categories and unknown sample size distribution, leading to intensified forgetting. Existing attempts for the GCIL either have poor performance, or invade data privacy by saving historical exemplars. To address this, in this paper, we propose an exemplar-free generalized analytic class incremental learning (G-ACIL). The G-ACIL adopts analytic learning (a gradient-free training technique), and delivers an analytical solution (i.e., closed-form) to the GCIL scenario. This solution is derived via decomposing the incoming data into exposed and unexposed classes, allowing an equivalence between the incremental learning and its joint training, i.e., the weight-invariant property. Such an equivalence is theoretically validated through matrix analysis tools, and hence contributes interpretability in GCIL. It is also empirically evidenced by experiments on various datasets and settings of GCIL. The results show that the G-ACIL exhibits leading performance with high robustness compared with existing competitive GCIL methods. Codes will be ready at https://github.com/ZHUANGHP/Analytic-continual-learning.

Hard-negative source selection for dense retrieval is usually decided only after fine-tuning and downstream evaluation. We propose ECI_{sem}, a semantic residual variant of Effective Contrastive Information (ECI) that ranks candidate negative sources using frozen target-encoder embeddings. ECI_{sem} is training-free, not label-free: each scored example requires a query, a labeled positive, and an explicit candidate negative. ECI_{sem} builds a weighted residual information matrix from target consistency, semantic locality, lexical residuality, and a log-determinant diversity objective. On MS MARCO negative sources, in-family ECI_{sem} ranks LLM negatives highest among non-hybrid sources and Dense+LLM highest among hybrid sources, matching the strongest aggregate BEIR transfer results across DistilBERT, E5-base, and Contriever. Controlled ablations show that this alignment depends on using the target encoder family, while additional ablations show stability under sample-size, temperature, tokenizer, and IDF-corpus perturbations. The theory gives a local linearized link to loss reduction, while the empirical study treats downstream evaluation as the final test.

We propose RecaLLM, a set of reasoning language models post-trained to make effective use of long-context information. In-context retrieval, which identifies relevant evidence from context, and reasoning are deeply intertwined: retrieval supports reasoning, while reasoning often determines what must be retrieved. However, their interaction remains largely underexplored. In preliminary experiments on several open-source LLMs, we observe that in-context retrieval performance substantially degrades even after a short reasoning span, revealing a key bottleneck for test-time scaling that we refer to as lost-in-thought: reasoning steps that improve performance also make subsequent in-context retrieval more challenging. To address this limitation, RecaLLM interleaves reasoning with explicit in-context retrieval, alternating between reasoning and retrieving context information needed to solve intermediate subproblems. We introduce a negligible-overhead constrained decoding mechanism that enables verbatim copying of evidence spans, improving the grounding of subsequent generation. Trained on diverse lexical and semantic retrieval tasks, RecaLLM achieves strong performance on two long-context benchmarks, RULER and HELMET, significantly outperforming baselines. Notably, we observe consistent gains at context windows of up to 128K tokens using training samples of at most 10K tokens, far shorter than those used by existing long-context approaches, highlighting a promising path toward improving long-context performance without expensive long-context training data.

Running LLMs with extended reasoning on every problem is expensive, but determining which inputs actually require additional compute remains challenging. We investigate whether their own likelihood of success is recoverable from their internal representations before generation, and if this signal can guide more efficient inference. We train linear probes on pre-generation activations to predict policy-specific success on math and coding tasks, substantially outperforming surface features such as question length and TF-IDF. Using E2H-AMC, which provides both human and model performance on identical problems, we show that models encode a model-specific notion of difficulty that is distinct from human difficulty, and that this distinction increases with extended reasoning. Leveraging these probes, we demonstrate that routing queries across a pool of models can exceed the best-performing model whilst reducing inference cost by up to 70\% on MATH, showing that internal representations enable practical efficiency gains even when they diverge from human intuitions about difficulty. Our code is available at: https://github.com/KabakaWilliam/llms_know_difficulty

Models based on machine learning can enable accurate and fast molecular property predictions, which is of interest in drug discovery and material design. Various supervised machine learning models have demonstrated promising performance, but the vast chemical space and the limited availability of property labels make supervised learning challenging. Recently, unsupervised transformer-based language models pretrained on a large unlabelled corpus have produced state-of-the-art results in many downstream natural language processing tasks. Inspired by this development, we present molecular embeddings obtained by training an efficient transformer encoder model, MoLFormer, which uses rotary positional embeddings. This model employs a linear attention mechanism, coupled with highly distributed training, on SMILES sequences of 1.1 billion unlabelled molecules from the PubChem and ZINC datasets. We show that the learned molecular representation outperforms existing baselines, including supervised and self-supervised graph neural networks and language models, on several downstream tasks from ten benchmark datasets. They perform competitively on two others. Further analyses, specifically through the lens of attention, demonstrate that MoLFormer trained on chemical SMILES indeed learns the spatial relationships between atoms within a molecule. These results provide encouraging evidence that large-scale molecular language models can capture sufficient chemical and structural information to predict various distinct molecular properties, including quantum-chemical properties.

Current approaches for training Process Reward Models (PRMs) often involve breaking down responses into multiple reasoning steps using rule-based techniques, such as using predefined placeholder tokens or setting the reasoning step's length into a fixed size. These approaches overlook the fact that specific words do not typically mark true decision points in a text. To address this, we propose AdaptiveStep, a method that divides reasoning steps based on the model's confidence in predicting the next word. This division method provides more decision-making information at each step, enhancing downstream tasks, such as reward model learning. Moreover, our method does not require manual annotation. We demonstrate its effectiveness through experiments with AdaptiveStep-trained PRMs in mathematical reasoning and code generation tasks. Experimental results indicate that the outcome PRM achieves state-of-the-art Best-of-N performance, surpassing greedy search strategy with token-level value-guided decoding, while also reducing construction costs by over 30% compared to existing open-source PRMs. In addition, we provide a thorough analysis and case study on the PRM's performance, transferability, and generalization capabilities.

We study robustness to test-time adversarial attacks in the regression setting with ell_p losses and arbitrary perturbation sets. We address the question of which function classes are PAC learnable in this setting. We show that classes of finite fat-shattering dimension are learnable in both realizable and agnostic settings. Moreover, for convex function classes, they are even properly learnable. In contrast, some non-convex function classes provably require improper learning algorithms. Our main technique is based on a construction of an adversarially robust sample compression scheme of a size determined by the fat-shattering dimension. Along the way, we introduce a novel agnostic sample compression scheme for real-valued functions, which may be of independent interest.

Transformer-based deep neural networks have revolutionized the field of molecular-related prediction tasks by treating molecules as symbolic sequences. These models have been successfully applied in various organic chemical applications by pretraining them with extensive compound libraries and subsequently fine-tuning them with smaller in-house datasets for specific tasks. However, many conventional methods primarily focus on single molecules, with limited exploration of pretraining for reactions involving multiple molecules. In this paper, we propose ReactionT5, a novel model that leverages pretraining on the Open Reaction Database (ORD), a publicly available large-scale resource. We further fine-tune this model for yield prediction and product prediction tasks, demonstrating its impressive performance even with limited fine-tuning data compared to traditional models. The pre-trained ReactionT5 model is publicly accessible on the Hugging Face platform.

Causal representation learning (CRL) seeks to recover latent variables with identifiability guarantees, typically up to permutation and component-wise reparameterization under appropriate assumptions. However, identifiability does not imply interpretability: latent semantics are typically assigned post hoc by alignment with known ground-truth factors. This limitation is particularly acute in scientific time series, where underlying mechanisms are unknown and discovering interpretable structure is a primary goal. In contrast, scientific observations (such as residue-pair distances, climate indices, or process sensors) are inherently semantic, as they correspond to named physical quantities. This raises a key question: can the interpretability of observations be transferred to the identifiable latent space? We propose MOSAIC (Module discovery via Sparse Additive Identifiable Causal learning), a sparse temporal VAE that integrates temporal CRL identifiability with support recovery over observed variables. MOSAIC identifies latent variables via regime-conditioned temporal variation, and recovers for each latent a sparse set of associated observations through an additive decoder, yielding module-level interpretability. We show that ANOVA main-effect supports are identifiable under general smooth mixing functions, and provide finite-sample recovery guarantees for a tractable sparse-additive variant. Empirically, MOSAIC recovers domain-consistent variable groups across RNA molecular dynamics, solar wind, ENSO climate, the Tennessee Eastman process, and a synthetic tokamak benchmark, enabling interpretable discovery of latent mechanisms in scientific time series.

Not all data in a typical training set help with generalization; some samples can be overly ambiguous or outrightly mislabeled. This paper introduces a new method to identify such samples and mitigate their impact when training neural networks. At the heart of our algorithm is the Area Under the Margin (AUM) statistic, which exploits differences in the training dynamics of clean and mislabeled samples. A simple procedure - adding an extra class populated with purposefully mislabeled threshold samples - learns a AUM upper bound that isolates mislabeled data. This approach consistently improves upon prior work on synthetic and real-world datasets. On the WebVision50 classification task our method removes 17% of training data, yielding a 1.6% (absolute) improvement in test error. On CIFAR100 removing 13% of the data leads to a 1.2% drop in error.

Large Language Models (LLMs) are thought to struggle with arithmetic learning due to the inherent differences between language modeling and numerical computation, but concrete evidence has been lacking. This work responds to this claim through a two-side experiment. We first investigate whether LLMs leverage partial products during arithmetic learning. We find that although LLMs can identify some partial products after learning, they fail to leverage them for arithmetic tasks, conversely. We then explore how LLMs approach arithmetic symbolically by breaking tasks into subgroups, hypothesizing that difficulties arise from subgroup complexity and selection. Our results show that when subgroup complexity is fixed, LLMs treat a collection of different arithmetic operations similarly. By analyzing position-level accuracy across different training sizes, we further observe that it follows a U-shaped pattern: LLMs quickly learn the easiest patterns at the first and last positions, while progressively learning the more difficult patterns in the middle positions. This suggests that LLMs select subgroup following an easy-to-hard paradigm during learning. Our work confirms that LLMs are pure symbolic learners in arithmetic tasks and underscores the importance of understanding them deeply through subgroup-level quantification.

Retrieval module can be plugged into many downstream NLP tasks to improve their performance, such as open-domain question answering and retrieval-augmented generation. The key to a retrieval system is to calculate relevance scores to query and passage pairs. However, the definition of relevance is often ambiguous. We observed that a major class of relevance aligns with the concept of entailment in NLI tasks. Based on this observation, we designed a method called entailment tuning to improve the embedding of dense retrievers. Specifically, we unify the form of retrieval data and NLI data using existence claim as a bridge. Then, we train retrievers to predict the claims entailed in a passage with a variant task of masked prediction. Our method can be efficiently plugged into current dense retrieval methods, and experiments show the effectiveness of our method.

One way to address safety risks from large language models (LLMs) is to censor dangerous knowledge from their training data. While this removes the explicit information, implicit information can remain scattered across various training documents. Could an LLM infer the censored knowledge by piecing together these implicit hints? As a step towards answering this question, we study inductive out-of-context reasoning (OOCR), a type of generalization in which LLMs infer latent information from evidence distributed across training documents and apply it to downstream tasks without in-context learning. Using a suite of five tasks, we demonstrate that frontier LLMs can perform inductive OOCR. In one experiment we finetune an LLM on a corpus consisting only of distances between an unknown city and other known cities. Remarkably, without in-context examples or Chain of Thought, the LLM can verbalize that the unknown city is Paris and use this fact to answer downstream questions. Further experiments show that LLMs trained only on individual coin flip outcomes can verbalize whether the coin is biased, and those trained only on pairs (x,f(x)) can articulate a definition of f and compute inverses. While OOCR succeeds in a range of cases, we also show that it is unreliable, particularly for smaller LLMs learning complex structures. Overall, the ability of LLMs to "connect the dots" without explicit in-context learning poses a potential obstacle to monitoring and controlling the knowledge acquired by LLMs.

Large language models for mathematical reasoning are typically trained with outcome-based rewards, which credit only the final answer. In our experiments, we observe that this paradigm is highly susceptible to reward hacking, leading to a substantial overestimation of a model's reasoning ability. This is evidenced by a high incidence of false positives - solutions that reach the correct final answer through an unsound reasoning process. Through a systematic analysis with human verification, we establish a taxonomy of these failure modes, identifying patterns like Miracle Steps - abrupt jumps to a correct output without a valid preceding derivation. Probing experiments suggest a strong association between these Miracle Steps and memorization, where the model appears to recall the answer directly rather than deriving it. To mitigate this systemic issue, we introduce the Rubric Reward Model (RRM), a process-oriented reward function that evaluates the entire reasoning trajectory against problem-specific rubrics. The generative RRM provides fine-grained, calibrated rewards (0-1) that explicitly penalize logical flaws and encourage rigorous deduction. When integrated into a reinforcement learning pipeline, RRM-based training consistently outperforms outcome-only supervision across four math benchmarks. Notably, it boosts Verified Pass@1024 on AIME2024 from 26.7% to 62.6% and reduces the incidence of Miracle Steps by 71%. Our work demonstrates that rewarding the solution process is crucial for building models that are not only more accurate but also more reliable.

Reasoning prefixes shape the future trajectory of LLM problem solving, yet existing process reward models usually evaluate them through local step correctness. We argue that correctness is a useful but indirect proxy for the effect we ultimately care about: whether a prefix increases the probability of successful completion. We define this effect as prefix gain, the solve-rate improvement induced by conditioning lightweight student model group on a prefix, and use it to train a Prefix Utility Model (PUM) with a simple pairwise ranking objective. PUM learns outcome-grounded prefix utility and can score both complete trajectories and partial reasoning prefixes. Across Best-of-N selection, beam search, and reinforcement learning on mathematical reasoning, PUM provides a strong prefix-level supervision signal, especially when candidate pools are large, search budgets increase, or rule-based rewards are sparse. We release all data, models, and code at https://zhiqix.github.io/pum-project-page.

In nature, the behaviors of many complex systems can be described by parsimonious math equations. Automatically distilling these equations from limited data is cast as a symbolic regression process which hitherto remains a grand challenge. Keen efforts in recent years have been placed on tackling this issue and demonstrated success in symbolic regression. However, there still exist bottlenecks that current methods struggle to break when the discrete search space tends toward infinity and especially when the underlying math formula is intricate. To this end, we propose a novel Reinforcement Symbolic Regression Machine (RSRM) that masters the capability of uncovering complex math equations from only scarce data. The RSRM model is composed of three key modules: (1) a Monte Carlo tree search (MCTS) agent that explores optimal math expression trees consisting of pre-defined math operators and variables, (2) a Double Q-learning block that helps reduce the feasible search space of MCTS via properly understanding the distribution of reward, and (3) a modulated sub-tree discovery block that heuristically learns and defines new math operators to improve representation ability of math expression trees. Biding of these modules yields the state-of-the-art performance of RSRM in symbolic regression as demonstrated by multiple sets of benchmark examples. The RSRM model shows clear superiority over several representative baseline models.

Symbolic regression plays a crucial role in modern scientific research thanks to its capability of discovering concise and interpretable mathematical expressions from data. A grand challenge lies in the arduous search for parsimonious and generalizable mathematical formulas, in an infinite search space, while intending to fit the training data. Existing algorithms have faced a critical bottleneck of accuracy and efficiency over a decade when handling problems of complexity, which essentially hinders the pace of applying symbolic regression for scientific exploration across interdisciplinary domains. To this end, we introduce a parallelized tree search (PTS) model to efficiently distill generic mathematical expressions from limited data. Through a series of extensive experiments, we demonstrate the superior accuracy and efficiency of PTS for equation discovery, which greatly outperforms the state-of-the-art baseline models on over 80 synthetic and experimental datasets (e.g., lifting its performance by up to 99% accuracy improvement and one-order of magnitude speed up). PTS represents a key advance in accurate and efficient data-driven discovery of symbolic, interpretable models (e.g., underlying physical laws) and marks a pivotal transition towards scalable symbolic learning.

We introduce Invariant Risk Minimization (IRM), a learning paradigm to estimate invariant correlations across multiple training distributions. To achieve this goal, IRM learns a data representation such that the optimal classifier, on top of that data representation, matches for all training distributions. Through theory and experiments, we show how the invariances learned by IRM relate to the causal structures governing the data and enable out-of-distribution generalization.

Large Language Models (LLMs) have recently been successfully applied to regression tasks -- such as time series forecasting and tabular prediction -- by leveraging their in-context learning abilities. However, their autoregressive decoding process may be ill-suited to continuous-valued outputs, where obtaining predictive distributions over numerical targets requires repeated sampling, leading to high computational cost and inference time. In this work, we investigate whether distributional properties of LLM predictions can be recovered without explicit autoregressive generation. To this end, we study a set of regression probes trained to predict statistical functionals (e.g., mean, median, quantiles) of the LLM's numerical output distribution directly from its internal representations. Our results suggest that LLM embeddings carry informative signals about summary statistics of their predictive distributions, including the numerical uncertainty. This investigation opens up new questions about how LLMs internally encode uncertainty in numerical tasks, and about the feasibility of lightweight alternatives to sampling-based approaches for uncertainty-aware numerical predictions.

Recent works show that pre-trained language models (PTLMs), such as BERT, possess certain commonsense and factual knowledge. They suggest that it is promising to use PTLMs as "neural knowledge bases" via predicting masked words. Surprisingly, we find that this may not work for numerical commonsense knowledge (e.g., a bird usually has two legs). In this paper, we investigate whether and to what extent we can induce numerical commonsense knowledge from PTLMs as well as the robustness of this process. To study this, we introduce a novel probing task with a diagnostic dataset, NumerSense, containing 13.6k masked-word-prediction probes (10.5k for fine-tuning and 3.1k for testing). Our analysis reveals that: (1) BERT and its stronger variant RoBERTa perform poorly on the diagnostic dataset prior to any fine-tuning; (2) fine-tuning with distant supervision brings some improvement; (3) the best supervised model still performs poorly as compared to human performance (54.06% vs 96.3% in accuracy).

In this paper, we explore the capabilities of LLMs in capturing lexical-semantic knowledge from WordNet on the example of the LLaMA-2-7b model and test it on multiple lexical semantic tasks. As the outcome of our experiments, we present TaxoLLaMA, the everything-in-one model, lightweight due to 4-bit quantization and LoRA. It achieves 11 SotA results, 4 top-2 results out of 16 tasks for the Taxonomy Enrichment, Hypernym Discovery, Taxonomy Construction, and Lexical Entailment tasks. Moreover, it demonstrates very strong zero-shot performance on Lexical Entailment and Taxonomy Construction with no fine-tuning. We also explore its hidden multilingual and domain adaptation capabilities with a little tuning or few-shot learning. All datasets, code, and model are available online at https://github.com/VityaVitalich/TaxoLLaMA

We address the neural network robustness problem by adding Similarity (i.e., correctly predicted depth-matches into training)-awareness and Distance-to-training-distribution-awareness to the existing output Magnitude (i.e., decision-boundary)-awareness of the softmax function. The resulting SDM activation function provides strong signals of the relative epistemic (reducible) predictive uncertainty. We use this novel behavior to further address the complementary HCI problem of mapping the output to human-interpretable summary statistics over relevant partitions of a held-out calibration set. Estimates of prediction-conditional uncertainty are obtained via a parsimonious learned transform over the class-conditional empirical CDFs of the output of a final-layer SDM activation function. For decision-making and as an intrinsic model check, estimates of class-conditional accuracy are obtained by further partitioning the high-probability regions of this calibrated output into class-conditional, region-specific CDFs. The uncertainty estimates from SDM calibration are remarkably robust to test-time distribution shifts and out-of-distribution inputs; incorporate awareness of the effective sample size; provide estimates of uncertainty from the learning and data splitting processes; and are well-suited for selective classification and conditional branching for additional test-time compute based on the predictive uncertainty, as for selective LLM generation, routing, and composition over multiple models and retrieval. Finally, we construct SDM networks, LLMs with uncertainty-aware verification and interpretability-by-exemplar as intrinsic properties. We provide open-source software implementing these results.

We present evidence that language models can learn meaning despite being trained only to perform next token prediction on text, specifically a corpus of programs. Each program is preceded by a specification in the form of (textual) input-output examples. Working with programs enables us to precisely define concepts relevant to meaning in language (e.g., correctness and semantics), making program synthesis well-suited as an intermediate testbed for characterizing the presence (or absence) of meaning in language models. We first train a Transformer model on the corpus of programs, then probe the trained model's hidden states as it completes a program given a specification. Despite providing no inductive bias toward learning the semantics of the language, we find that a linear probe is able to extract abstractions of both current and future program states from the model states. Moreover, there is a strong, statistically significant correlation between the accuracy of the probe and the model's ability to generate a program that implements the specification. To evaluate whether the semantics are represented in the model states rather than learned by the probe, we design a novel experimental procedure that intervenes on the semantics of the language while preserving the lexicon and syntax. We also demonstrate that the model learns to generate correct programs that are, on average, shorter than those in the training set, which is evidence that language model outputs may differ from the training distribution in semantically meaningful ways. In summary, this paper does not propose any new techniques for training language models, but develops an experimental framework for and provides insights into the acquisition and representation of (formal) meaning in language models.

We establish a new theoretical framework for learning under multi-class, instance-dependent label noise. This framework casts learning with label noise as a form of domain adaptation, in particular, domain adaptation under posterior drift. We introduce the concept of relative signal strength (RSS), a pointwise measure that quantifies the transferability from noisy to clean posterior. Using RSS, we establish nearly matching upper and lower bounds on the excess risk. Our theoretical findings support the simple Noise Ignorant Empirical Risk Minimization (NI-ERM) principle, which minimizes empirical risk while ignoring label noise. Finally, we translate this theoretical insight into practice: by using NI-ERM to fit a linear classifier on top of a self-supervised feature extractor, we achieve state-of-the-art performance on the CIFAR-N data challenge.

Class-Incremental Learning (CIL) requires models to continually acquire knowledge of new classes without forgetting old ones. Despite Pre-trained Models (PTMs) have shown excellent performance in CIL, catastrophic forgetting still occurs as the model learns new concepts. Existing work seeks to utilize lightweight components to adjust the PTM, while the forgetting phenomenon still comes from {\em parameter and retrieval} levels. Specifically, iterative updates of the model result in parameter drift, while mistakenly retrieving irrelevant modules leads to the mismatch during inference. To this end, we propose MOdel Surgery (MOS) to rescue the model from forgetting previous knowledge. By training task-specific adapters, we continually adjust the PTM to downstream tasks. To mitigate parameter-level forgetting, we present an adapter merging approach to learn task-specific adapters, which aims to bridge the gap between different components while reserve task-specific information. Besides, to address retrieval-level forgetting, we introduce a training-free self-refined adapter retrieval mechanism during inference, which leverages the model's inherent ability for better adapter retrieval. By jointly rectifying the model with those steps, MOS can robustly resist catastrophic forgetting in the learning process. Extensive experiments on seven benchmark datasets validate MOS's state-of-the-art performance. Code is available at: https://github.com/sun-hailong/AAAI25-MOS

Machine learning models -- including prominent zero-shot models -- are often trained on datasets whose labels are only a small proportion of a larger label space. Such spaces are commonly equipped with a metric that relates the labels via distances between them. We propose a simple approach to exploit this information to adapt the trained model to reliably predict new classes -- or, in the case of zero-shot prediction, to improve its performance -- without any additional training. Our technique is a drop-in replacement of the standard prediction rule, swapping argmax with the Fr\'echet mean. We provide a comprehensive theoretical analysis for this approach, studying (i) learning-theoretic results trading off label space diameter, sample complexity, and model dimension, (ii) characterizations of the full range of scenarios in which it is possible to predict any unobserved class, and (iii) an optimal active learning-like next class selection procedure to obtain optimal training classes for when it is not possible to predict the entire range of unobserved classes. Empirically, using easily-available external metrics, our proposed approach, Loki, gains up to 29.7% relative improvement over SimCLR on ImageNet and scales to hundreds of thousands of classes. When no such metric is available, Loki can use self-derived metrics from class embeddings and obtains a 10.5% improvement on pretrained zero-shot models such as CLIP.

We consider the problem of few-shot spoken word classification in a setting where a model is incrementally introduced to new word classes. This would occur in a user-defined keyword system where new words can be added as the system is used. In such a continual learning scenario, a model might start to misclassify earlier words as newer classes are added, i.e. catastrophic forgetting. To address this, we propose an extension to model-agnostic meta-learning (MAML): each inner learning loop, where a model "learns how to learn'' new classes, ends with a single gradient update using stored templates from all the classes that the model has already seen (one template per class). We compare this method to OML (another extension of MAML) in few-shot isolated-word classification experiments on Google Commands and FACC. Our method consistently outperforms OML in experiments where the number of shots and the final number of classes are varied.

In this paper we present a new framework for time-series modeling that combines the best of traditional statistical models and neural networks. We focus on time-series with long-range dependencies, needed for monitoring fine granularity data (e.g. minutes, seconds, milliseconds), prevalent in operational use-cases. Traditional models, such as auto-regression fitted with least squares (Classic-AR) can model time-series with a concise and interpretable model. When dealing with long-range dependencies, Classic-AR models can become intractably slow to fit for large data. Recently, sequence-to-sequence models, such as Recurrent Neural Networks, which were originally intended for natural language processing, have become popular for time-series. However, they can be overly complex for typical time-series data and lack interpretability. A scalable and interpretable model is needed to bridge the statistical and deep learning-based approaches. As a first step towards this goal, we propose modelling AR-process dynamics using a feed-forward neural network approach, termed AR-Net. We show that AR-Net is as interpretable as Classic-AR but also scales to long-range dependencies. Our results lead to three major conclusions: First, AR-Net learns identical AR-coefficients as Classic-AR, thus being equally interpretable. Second, the computational complexity with respect to the order of the AR process, is linear for AR-Net as compared to a quadratic for Classic-AR. This makes it possible to model long-range dependencies within fine granularity data. Third, by introducing regularization, AR-Net automatically selects and learns sparse AR-coefficients. This eliminates the need to know the exact order of the AR-process and allows to learn sparse weights for a model with long-range dependencies.

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 tune or 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 results in detoxification with only 10% decoding overhead, adapts to 76 low-resource personalized LLMs within seconds, and seamlessly extends to composite attributes.

We tackle the problem of novel class discovery, which aims to learn novel classes without supervision based on labeled data from known classes. A key challenge lies in transferring the knowledge in the known-class data to the learning of novel classes. Previous methods mainly focus on building a shared representation space for knowledge transfer and often ignore modeling class relations. To address this, we introduce a class relation representation for the novel classes based on the predicted class distribution of a model trained on known classes. Empirically, we find that such class relation becomes less informative during typical discovery training. To prevent such information loss, we propose a novel knowledge distillation framework, which utilizes our class-relation representation to regularize the learning of novel classes. In addition, to enable a flexible knowledge distillation scheme for each data point in novel classes, we develop a learnable weighting function for the regularization, which adaptively promotes knowledge transfer based on the semantic similarity between the novel and known classes. To validate the effectiveness and generalization of our method, we conduct extensive experiments on multiple benchmarks, including CIFAR100, Stanford Cars, CUB, and FGVC-Aircraft datasets. Our results demonstrate that the proposed method outperforms the previous state-of-the-art methods by a significant margin on almost all benchmarks. Code is available at https://github.com/kleinzcy/Cr-KD-NCD{here}.

Large Language Models(LLMs) have demonstrated remarkable performance across various domains, yet their capabilities in molecular reasoning remain insufficiently explored. Current approaches tend to rely heavily on general-purpose prompting, which lacks domain-specific molecular semantics, while those that use fine-tuning strategies often face challenges with interpretability and reasoning depth. To address these issues, we introduce MolReasoner, a two-stage framework designed to transition LLMs from memorization towards chemical reasoning. First, we propose Mol-SFT, which initializes the model's reasoning abilities via synthetic Chain-of-Thought(CoT) samples generated by GPT-4o and verified for chemical accuracy. Subsequently, Mol-RL applies reinforcement learning with specialized reward functions designed explicitly to align chemical structures with linguistic descriptions, thereby enhancing molecular reasoning capabilities. Our approach notably enhances interpretability, improving the model 's molecular understanding and enabling better generalization. Extensive experiments demonstrate that MolReasoner outperforms existing methods, and marking a significant shift from memorization-based outputs to robust chemical reasoning.

The complexity of learning a concept class under Gaussian marginals in the difficult agnostic model is closely related to its L_1-approximability by low-degree polynomials. For any concept class with Gaussian surface area at most Γ, Klivans et al. (2008) show that degree d = O(Γ^2 / varepsilon^4) suffices to achieve an varepsilon-approximation. This leads to the best-known bounds on the complexity of learning a variety of concept classes. In this note, we improve their analysis by showing that degree d = tilde O (Γ^2 / varepsilon^2) is enough. In light of lower bounds due to Diakonikolas et al. (2021), this yields (near) optimal bounds on the complexity of agnostically learning polynomial threshold functions in the statistical query model. Our proof relies on a direct analogue of a construction of Feldman et al. (2020), who considered L_1-approximation on the Boolean hypercube.

Conformal prediction has shown spurring performance in constructing statistically rigorous prediction sets for arbitrary black-box machine learning models, assuming the data is exchangeable. However, even small adversarial perturbations during the inference can violate the exchangeability assumption, challenge the coverage guarantees, and result in a subsequent decline in empirical coverage. In this work, we propose a certifiably robust learning-reasoning conformal prediction framework (COLEP) via probabilistic circuits, which comprise a data-driven learning component that trains statistical models to learn different semantic concepts, and a reasoning component that encodes knowledge and characterizes the relationships among the trained models for logic reasoning. To achieve exact and efficient reasoning, we employ probabilistic circuits (PCs) within the reasoning component. Theoretically, we provide end-to-end certification of prediction coverage for COLEP in the presence of bounded adversarial perturbations. We also provide certified coverage considering the finite size of the calibration set. Furthermore, we prove that COLEP achieves higher prediction coverage and accuracy over a single model as long as the utilities of knowledge models are non-trivial. Empirically, we show the validity and tightness of our certified coverage, demonstrating the robust conformal prediction of COLEP on various datasets, including GTSRB, CIFAR10, and AwA2. We show that COLEP achieves up to 12% improvement in certified coverage on GTSRB, 9% on CIFAR-10, and 14% on AwA2.

Neural networks are often trained with empirical risk minimization; however, it has been shown that a shift between training and testing distributions can cause unpredictable performance degradation. On this issue, a research direction, invariant learning, has been proposed to extract invariant features insensitive to the distributional changes. This work proposes EDNIL, an invariant learning framework containing a multi-head neural network to absorb data biases. We show that this framework does not require prior knowledge about environments or strong assumptions about the pre-trained model. We also reveal that the proposed algorithm has theoretical connections to recent studies discussing properties of variant and invariant features. Finally, we demonstrate that models trained with EDNIL are empirically more robust against distributional shifts.

Large Language Models (LLMs) are smart but forgetful. Recent studies, (e.g., (Bubeck et al., 2023)) on modern LLMs have shown that they are capable of performing amazing tasks typically necessitating human-level intelligence. However, unlike humans, frozen LLMs do not improve over time; they neither acquire new knowledge nor learn from their successes or failures. Some approaches to improving the intelligence of LLMs include fine-tuning models based on problem-solving performance (Zelikman et al., 2022), and building bigger and more sophisticated models (Bubeck et al., 2023). However, these methods have the drawback of requiring substantial data and computational resources to retrain existing models. In this paper, we explore the use of Retrieval Augmented Generation, also known as RAG (Lewis et al., 2021) to improve problem-solving performance. We propose ARM-RAG (Auxiliary Rationale Memory for Retrieval Augmented Generation), a system that learns from its successes without incurring high training costs. We demonstrate that the storage and subsequent retrieval of reasoning chains have a positive influence on performance in grade-school math problems.

Learning with few labeled tabular samples is often an essential requirement for industrial machine learning applications as varieties of tabular data suffer from high annotation costs or have difficulties in collecting new samples for novel tasks. Despite the utter importance, such a problem is quite under-explored in the field of tabular learning, and existing few-shot learning schemes from other domains are not straightforward to apply, mainly due to the heterogeneous characteristics of tabular data. In this paper, we propose a simple yet effective framework for few-shot semi-supervised tabular learning, coined Self-generated Tasks from UNlabeled Tables (STUNT). Our key idea is to self-generate diverse few-shot tasks by treating randomly chosen columns as a target label. We then employ a meta-learning scheme to learn generalizable knowledge with the constructed tasks. Moreover, we introduce an unsupervised validation scheme for hyperparameter search (and early stopping) by generating a pseudo-validation set using STUNT from unlabeled data. Our experimental results demonstrate that our simple framework brings significant performance gain under various tabular few-shot learning benchmarks, compared to prior semi- and self-supervised baselines. Code is available at https://github.com/jaehyun513/STUNT.

Mathematical equations have been unreasonably effective in describing complex natural phenomena across various scientific disciplines. However, discovering such insightful equations from data presents significant challenges due to the necessity of navigating extremely high-dimensional combinatorial and nonlinear hypothesis spaces. Traditional methods of equation discovery largely focus on extracting equations from data alone, often neglecting the rich domain-specific prior knowledge that scientists typically depend on. To bridge this gap, we introduce LLM-SR, a novel approach that leverages the extensive scientific knowledge and robust code generation capabilities of Large Language Models (LLMs) to discover scientific equations from data in an efficient manner. Specifically, LLM-SR treats equations as programs with mathematical operators and combines LLMs' scientific priors with evolutionary search over equation programs. The LLM iteratively proposes new equation skeletons, drawing from its physical understanding, which are then optimized against data to estimate skeleton parameters. We demonstrate LLM-SR's effectiveness across three diverse scientific domains, where it discovers physically accurate equations that provide significantly better fits to in-domain and out-of-domain data compared to the well-established equation discovery baselines

Can we learn more from data than existed in the generating process itself? Can new and useful information be constructed from merely applying deterministic transformations to existing data? Can the learnable content in data be evaluated without considering a downstream task? On these questions, Shannon information and Kolmogorov complexity come up nearly empty-handed, in part because they assume observers with unlimited computational capacity and fail to target the useful information content. In this work, we identify and exemplify three seeming paradoxes in information theory: (1) information cannot be increased by deterministic transformations; (2) information is independent of the order of data; (3) likelihood modeling is merely distribution matching. To shed light on the tension between these results and modern practice, and to quantify the value of data, we introduce epiplexity, a formalization of information capturing what computationally bounded observers can learn from data. Epiplexity captures the structural content in data while excluding time-bounded entropy, the random unpredictable content exemplified by pseudorandom number generators and chaotic dynamical systems. With these concepts, we demonstrate how information can be created with computation, how it depends on the ordering of the data, and how likelihood modeling can produce more complex programs than present in the data generating process itself. We also present practical procedures to estimate epiplexity which we show capture differences across data sources, track with downstream performance, and highlight dataset interventions that improve out-of-distribution generalization. In contrast to principles of model selection, epiplexity provides a theoretical foundation for data selection, guiding how to select, generate, or transform data for learning systems.

LLMs have boosted progress in many AI applications. Recently, there were attempts to distill the vast knowledge of LLMs into information retrieval systems. Those distillation methods mostly use output probabilities of LLMs which are unavailable in the latest black-box LLMs. We propose Syntriever, a training framework for retrievers using synthetic data from black-box LLMs. Syntriever consists of two stages. Firstly in the distillation stage, we synthesize relevant and plausibly irrelevant passages and augmented queries using chain-of-thoughts for the given queries. LLM is asked to self-verify the synthetic data for possible hallucinations, after which retrievers are trained with a loss designed to cluster the embeddings of relevant passages. Secondly in the alignment stage, we align the retriever with the preferences of LLMs. We propose a preference modeling called partial Plackett-Luce ranking to learn LLM preferences with regularization which prevents the model from deviating excessively from that trained in the distillation stage. Experiments show that Syntriever achieves state-of-the-art performances on benchmark datasets from various domains in nDCG@K. The code is available at https://github.com/kmswin1/Syntriever{https://github.com/kmswin1/Syntriever}.

We discuss how to define a kernel for Signal Temporal Logic (STL) formulae. Such a kernel allows us to embed the space of formulae into a Hilbert space, and opens up the use of kernel-based machine learning algorithms in the context of STL. We show an application of this idea to a regression problem in formula space for probabilistic models.

In an era where symbolic mathematical equations are indispensable for modeling complex natural phenomena, scientific inquiry often involves collecting observations and translating them into mathematical expressions. Recently, deep learning has emerged as a powerful tool for extracting insights from data. However, existing models typically specialize in either numeric or symbolic domains, and are usually trained in a supervised manner tailored to specific tasks. This approach neglects the substantial benefits that could arise from a task-agnostic unified understanding between symbolic equations and their numeric counterparts. To bridge the gap, we introduce SNIP, a Symbolic-Numeric Integrated Pre-training, which employs joint contrastive learning between symbolic and numeric domains, enhancing their mutual similarities in the pre-trained embeddings. By performing latent space analysis, we observe that SNIP provides cross-domain insights into the representations, revealing that symbolic supervision enhances the embeddings of numeric data and vice versa. We evaluate SNIP across diverse tasks, including symbolic-to-numeric mathematical property prediction and numeric-to-symbolic equation discovery, commonly known as symbolic regression. Results show that SNIP effectively transfers to various tasks, consistently outperforming fully supervised baselines and competing strongly with established task-specific methods, especially in few-shot learning scenarios where available data is limited.

Unlearning in large language models (LLMs) is critical for regulatory compliance and for building ethical generative AI systems that avoid producing private, toxic, illegal, or copyrighted content. Despite rapid progress, in this work we show that almost all existing unlearning methods fail to achieve true forgetting in practice. Specifically, while evaluations of these `unlearned' models under deterministic (greedy) decoding often suggest successful knowledge removal using standard benchmarks (as has been done in the literature), we show that sensitive information reliably resurfaces when models are sampled with standard probabilistic decoding. To rigorously capture this vulnerability, we introduce leak@k, a new meta-evaluation metric that quantifies the likelihood of forgotten knowledge reappearing when generating k samples from the model under realistic decoding strategies. Using three widely adopted benchmarks, TOFU, MUSE, and WMDP, we conduct the first large-scale, systematic study of unlearning reliability using our newly defined leak@k metric. Our findings demonstrate that knowledge leakage persists across methods and tasks, underscoring that current state-of-the-art unlearning techniques provide only limited forgetting and highlighting the urgent need for more robust approaches to LLM unlearning.

We show that Large Language Model from Power Law Decoder Representations (PLDR-LLM) is a foundational model whose deductive outputs are invariant tensors up to a small perturbation. PLDR-LLM learns a singularity condition for the deductive outputs that enable the once-inferred energy-curvature tensor G_{LM} to replace the deep neural network of power law graph attention (PLGA) generating the deductive outputs at inference. We demonstrate that a cache for G_{LM} (G-cache) and KV-cache can be implemented in a straightforward manner to improve the inference time. The invariance and generalizable nature of deductive outputs is at a very high fidelity where deductive outputs have same RMSE and determinant values up to 15 decimal places after caching, and zero-shot benchmark scores remain unchanged. Ablation studies show that learned deductive outputs have distinct loss and accuracy characteristics from models pretrained with transferred, randomly initialized or identity tensors as a constant tensor operator and an LLM with scaled-dot product attention (SDPA) is a special case of PLDR-LLM where G_{LM} is predefined as identity. The observed invariance characteristic introduces a novel asymmetry between training and inference phases with caching. We outline observed common characteristics of the deductive outputs for the learned singularity condition. We provide an implementation of a training and inference framework for PLDR-LLM with KV-cache and G-cache.

Retrieval-Augmented Generation (RAG) effectively improves the accuracy of Large Language Models (LLMs). However, retrieval noises significantly impact the quality of LLMs' generation, necessitating the development of denoising mechanisms. Previous methods extract evidence straightforwardly without explicit thinking, which risks filtering out key clues and struggles with generalization. To this end, we propose EviOmni, which learns to extract rational evidence by (1) explicitly reasoning to identify potential cues within retrieval contents first, and then (2) consciously extracting to avoid omitting any key cues helpful for answering questions. Specifically, we frame evidence reasoning and evidence extraction into one unified response for end-to-end training; apply knowledge token masks for disentanglement to derive reasoning-based and extraction-based answers; and devise three types of verifiable reward functions, including answer, length, and format, to update the model via the policy optimization algorithm. Extensive experiments on three benchmark datasets show the effectiveness of EviOmni, providing compact and high-quality evidence, improving the accuracy of downstream tasks, and promoting effective application in online RAG systems.

Learned sparse retrieval (LSR) is a family of first-stage retrieval methods that are trained to generate sparse lexical representations of queries and documents for use with an inverted index. Many LSR methods have been recently introduced, with Splade models achieving state-of-the-art performance on MSMarco. Despite similarities in their model architectures, many LSR methods show substantial differences in effectiveness and efficiency. Differences in the experimental setups and configurations used make it difficult to compare the methods and derive insights. In this work, we analyze existing LSR methods and identify key components to establish an LSR framework that unifies all LSR methods under the same perspective. We then reproduce all prominent methods using a common codebase and re-train them in the same environment, which allows us to quantify how components of the framework affect effectiveness and efficiency. We find that (1) including document term weighting is most important for a method's effectiveness, (2) including query weighting has a small positive impact, and (3) document expansion and query expansion have a cancellation effect. As a result, we show how removing query expansion from a state-of-the-art model can reduce latency significantly while maintaining effectiveness on MSMarco and TripClick benchmarks. Our code is publicly available at https://github.com/thongnt99/learned-sparse-retrieval

Mixture models arise in many regression problems, but most methods have seen limited adoption partly due to these algorithms' highly-tailored and model-specific nature. On the other hand, transformers are flexible, neural sequence models that present the intriguing possibility of providing general-purpose prediction methods, even in this mixture setting. In this work, we investigate the hypothesis that transformers can learn an optimal predictor for mixtures of regressions. We construct a generative process for a mixture of linear regressions for which the decision-theoretic optimal procedure is given by data-driven exponential weights on a finite set of parameters. We observe that transformers achieve low mean-squared error on data generated via this process. By probing the transformer's output at inference time, we also show that transformers typically make predictions that are close to the optimal predictor. Our experiments also demonstrate that transformers can learn mixtures of regressions in a sample-efficient fashion and are somewhat robust to distribution shifts. We complement our experimental observations by proving constructively that the decision-theoretic optimal procedure is indeed implementable by a transformer.

Large Language Models (LLMs) must continuously learn and update knowledge to remain effective in dynamic real-world environments. While Low-Rank Adaptation (LoRA) is widely used for such memory updates, existing studies mainly rely on qualitative downstream evaluations, leaving the quantitative capacity limits and underlying dynamics of exact parametric memory largely unexplored. To bridge this gap, we employ LoRA as a controlled memory capacity probe within the latent space to systematically quantify exact parametric memory. We introduce the Parametric Memory Law, a robust power law linking loss reduction Delta L to effective parameters and sequence length. At the token level, fine-grained analysis reveals a deterministic phase transition, demonstrating that a prediction probability of p > 0.5 constitutes a sufficient condition for verbatim recall under greedy decoding. Driven by these insights, we introduce MemFT, a threshold-guided optimization strategy that dynamically redistributes the training budget toward sub-threshold tokens. Empirical evaluations demonstrate that MemFT can enhance memory fidelity and efficiency. Code will be released at https://github.com/zjunlp/ParametricMemoryLaw.

In this paper, we tackle the important yet under-investigated problem of making long-horizon prediction of event sequences. Existing state-of-the-art models do not perform well at this task due to their autoregressive structure. We propose HYPRO, a hybridly normalized probabilistic model that naturally fits this task: its first part is an autoregressive base model that learns to propose predictions; its second part is an energy function that learns to reweight the proposals such that more realistic predictions end up with higher probabilities. We also propose efficient training and inference algorithms for this model. Experiments on multiple real-world datasets demonstrate that our proposed HYPRO model can significantly outperform previous models at making long-horizon predictions of future events. We also conduct a range of ablation studies to investigate the effectiveness of each component of our proposed methods.

We introduce RAM, an innovative RAG-based framework with an ever-improving memory. Inspired by humans' pedagogical process, RAM utilizes recursively reasoning-based retrieval and experience reflections to continually update the memory and learn from users' communicative feedback, namely communicative learning. Extensive experiments with both simulated and real users demonstrate significant improvements over traditional RAG and self-knowledge methods, particularly excelling in handling false premise and multi-hop questions. Furthermore, RAM exhibits promising adaptability to various feedback and retrieval method chain types, showcasing its potential for advancing AI capabilities in dynamic knowledge acquisition and lifelong learning.

Most learning algorithms with formal regret guarantees assume that no mistake is irreparable and essentially rely on trying all possible behaviors. This approach is problematic when some mistakes are catastrophic, i.e., irreparable. We propose an online learning problem where the goal is to minimize the chance of catastrophe. Specifically, we assume that the payoff in each round represents the chance of avoiding catastrophe that round and aim to maximize the product of payoffs (the overall chance of avoiding catastrophe) while allowing a limited number of queries to a mentor. We first show that in general, any algorithm either constantly queries the mentor or is nearly guaranteed to cause catastrophe. However, in settings where the mentor policy class is learnable in the standard online learning model, we provide an algorithm whose regret and rate of querying the mentor both approach 0 as the time horizon grows. Conceptually, if a policy class is learnable in the absence of catastrophic risk, it is learnable in the presence of catastrophic risk if the agent can ask for help.

Catastrophic forgetting in neural networks is a significant problem for continual learning. A majority of the current methods replay previous data during training, which violates the constraints of an ideal continual learning system. Additionally, current approaches that deal with forgetting ignore the problem of catastrophic remembering, i.e. the worsening ability to discriminate between data from different tasks. In our work, we introduce Relevance Mapping Networks (RMNs) which are inspired by the Optimal Overlap Hypothesis. The mappings reflects the relevance of the weights for the task at hand by assigning large weights to essential parameters. We show that RMNs learn an optimized representational overlap that overcomes the twin problem of catastrophic forgetting and remembering. Our approach achieves state-of-the-art performance across all common continual learning datasets, even significantly outperforming data replay methods while not violating the constraints for an ideal continual learning system. Moreover, RMNs retain the ability to detect data from new tasks in an unsupervised manner, thus proving their resilience against catastrophic remembering.

In this paper, we propose KnowCoder, a Large Language Model (LLM) to conduct Universal Information Extraction (UIE) via code generation. KnowCoder aims to develop a kind of unified schema representation that LLMs can easily understand and an effective learning framework that encourages LLMs to follow schemas and extract structured knowledge accurately. To achieve these, KnowCoder introduces a code-style schema representation method to uniformly transform different schemas into Python classes, with which complex schema information, such as constraints among tasks in UIE, can be captured in an LLM-friendly manner. We further construct a code-style schema library covering over 30,000 types of knowledge, which is the largest one for UIE, to the best of our knowledge. To ease the learning process of LLMs, KnowCoder contains a two-phase learning framework that enhances its schema understanding ability via code pretraining and its schema following ability via instruction tuning. After code pretraining on around 1.5B automatically constructed data, KnowCoder already attains remarkable generalization ability and achieves relative improvements by 49.8% F1, compared to LLaMA2, under the few-shot setting. After instruction tuning, KnowCoder further exhibits strong generalization ability on unseen schemas and achieves up to 12.5% and 21.9%, compared to sota baselines, under the zero-shot setting and the low resource setting, respectively. Additionally, based on our unified schema representations, various human-annotated datasets can simultaneously be utilized to refine KnowCoder, which achieves significant improvements up to 7.5% under the supervised setting.

Transfer learning with a small amount of target data is an effective and common approach to adapting a pre-trained model to distribution shifts. In some situations, target data labels may be expensive to obtain, so we may only have access to a limited number of target data points. To make the most of a very small target dataset, we propose a lightweight, sample-efficient approach that learns a diverse set of features and adapts to a target distribution by interpolating these features. Our approach, Project and Probe (Pro^2), first learns a linear projection that maps a pre-trained embedding onto orthogonal directions while being predictive of labels in the source dataset. The goal of this step is to learn a variety of predictive features, so that at least some of them remain useful after distribution shift. Pro^2 then learns a linear classifier on top of these projected features using a small target dataset. Theoretically, we find that Pro^2 results in more sample-efficient generalization by inducing a favorable bias-variance tradeoff. Our experiments on four datasets, with multiple distribution shift settings for each, show that Pro^2 improves performance by 5-15% when given limited target data compared to prior methods such as standard linear probing.

We consider automatically identifying the defined term within a mathematical definition from the text of an academic article. Inspired by the development of transformer-based natural language processing applications, we pose the problem as (a) a token-level classification task using fine-tuned pre-trained transformers; and (b) a question-answering task using a generalist large language model (GPT). We also propose a rule-based approach to build a labeled dataset from the LATEX source of papers. Experimental results show that it is possible to reach high levels of precision and recall using either recent (and expensive) GPT 4 or simpler pre-trained models fine-tuned on our task.

We present a comprehensive system for addressing Tasks A, B, and C of the LLMs4OL 2025 challenge, which together span the full ontology construction pipeline: term extraction, typing, and taxonomy discovery. Our approach combines retrieval-augmented prompting, zero-shot classification, and attention-based graph modeling -- each tailored to the demands of the respective task. For Task A, we jointly extract domain-specific terms and their ontological types using a retrieval-augmented generation (RAG) pipeline. Training data was reformulated into a document to terms and types correspondence, while test-time inference leverages semantically similar training examples. This single-pass method requires no model finetuning and improves overall performance through lexical augmentation Task B, which involves assigning types to given terms, is handled via a dual strategy. In the few-shot setting (for domains with labeled training data), we reuse the RAG scheme with few-shot prompting. In the zero-shot setting (for previously unseen domains), we use a zero-shot classifier that combines cosine similarity scores from multiple embedding models using confidence-based weighting. In Task C, we model taxonomy discovery as graph inference. Using embeddings of type labels, we train a lightweight cross-attention layer to predict is-a relations by approximating a soft adjacency matrix. These modular, task-specific solutions enabled us to achieve top-ranking results in the official leaderboard across all three tasks. Taken together these strategies showcase the scalability, adaptability, and robustness of LLM-based architectures for ontology learning across heterogeneous domains. Code is available at: https://github.com/BelyaevaAlex/LLMs4OL-Challenge-Alexbek

In this report we review memory-based meta-learning as a tool for building sample-efficient strategies that learn from past experience to adapt to any task within a target class. Our goal is to equip the reader with the conceptual foundations of this tool for building new, scalable agents that operate on broad domains. To do so, we present basic algorithmic templates for building near-optimal predictors and reinforcement learners which behave as if they had a probabilistic model that allowed them to efficiently exploit task structure. Furthermore, we recast memory-based meta-learning within a Bayesian framework, showing that the meta-learned strategies are near-optimal because they amortize Bayes-filtered data, where the adaptation is implemented in the memory dynamics as a state-machine of sufficient statistics. Essentially, memory-based meta-learning translates the hard problem of probabilistic sequential inference into a regression problem.

Can Transformers predict new syllogisms by composing established ones? More generally, what type of targets can be learned by such models from scratch? Recent works show that Transformers can be Turing-complete in terms of expressivity, but this does not address the learnability objective. This paper puts forward the notion of 'globality degree' of a target distribution to capture when weak learning is efficiently achievable by regular Transformers, where the latter measures the least number of tokens required in addition to the tokens histogram to correlate nontrivially with the target. As shown experimentally and theoretically under additional assumptions, distributions with high globality cannot be learned efficiently. In particular, syllogisms cannot be composed on long chains. Furthermore, we show that (i) an agnostic scratchpad cannot help to break the globality barrier, (ii) an educated scratchpad can help if it breaks the globality at each step, however not all such scratchpads can generalize to out-of-distribution (OOD) samples, (iii) a notion of 'inductive scratchpad', that composes the prior information more efficiently, can both break the globality barrier and improve the OOD generalization. In particular, some inductive scratchpads can achieve length generalizations of up to 6x for some arithmetic tasks depending on the input formatting.

Does a lexical retriever suffice as large language models (LLMs) become more capable in an agentic loop? This question naturally arises when building deep research systems. We revisit it by pairing BM25 with frontier LLMs that have better reasoning and tool-use abilities. To support researchers asking the same question, we introduce Pi-Serini, a search agent equipped with three tools for retrieving, browsing, and reading documents. Our results show that, on BrowseComp-Plus, a well-configured lexical retriever with sufficient retrieval depth can support effective deep research when paired with more capable LLMs. Specifically, Pi-Serini with gpt-5.5 achieves 83.1% answer accuracy and 94.7% surfaced evidence recall, outperforming released search agents that use dense retrievers. Controlled ablations further show that BM25 tuning improves answer accuracy by 18.0% and surfaced evidence recall by 11.1% over the default BM25 setting, while increasing retrieval depth further improves surfaced evidence recall by 25.3% over the shallow-retrieval setting. Source code is available at https://github.com/justram/pi-serini.

Instruction-following retrievers have been widely adopted alongside LLMs in real-world applications, but little work has investigated the safety risks surrounding their increasing search capabilities. We empirically study the ability of retrievers to satisfy malicious queries, both when used directly and when used in a retrieval augmented generation-based setup. Concretely, we investigate six leading retrievers, including NV-Embed and LLM2Vec, and find that given malicious requests, most retrievers can (for >50% of queries) select relevant harmful passages. For example, LLM2Vec correctly selects passages for 61.35% of our malicious queries. We further uncover an emerging risk with instruction-following retrievers, where highly relevant harmful information can be surfaced by exploiting their instruction-following capabilities. Finally, we show that even safety-aligned LLMs, such as Llama3, can satisfy malicious requests when provided with harmful retrieved passages in-context. In summary, our findings underscore the malicious misuse risks associated with increasing retriever capability.

Large Reasoning Models (LRMs) generate structured chains of thought (CoTs) before producing final answers, making them especially vulnerable to knowledge leakage through intermediate reasoning steps. Yet, the memorization of sensitive information in the training data such as copyrighted and private content has led to ethical and legal concerns. To address these issues, selective forgetting (also known as machine unlearning) has emerged as a potential remedy for LRMs. However, existing unlearning methods primarily target final answers and may degrade the overall reasoning ability of LRMs after forgetting. Additionally, directly applying unlearning on the entire CoTs could degrade the general reasoning capabilities. The key challenge for LRM unlearning lies in achieving precise unlearning of targeted knowledge while preserving the integrity of general reasoning capabilities. To bridge this gap, we in this paper propose a novel LRM unlearning framework that selectively removes sensitive reasoning components while preserving general reasoning capabilities. Our approach leverages multiple LLMs with retrieval-augmented generation (RAG) to analyze CoT traces, identify forget-relevant segments, and replace them with benign placeholders that maintain logical structure. We also introduce a new feature replacement unlearning loss for LRMs, which can simultaneously suppress the probability of generating forgotten content while reinforcing structurally valid replacements. Extensive experiments on both synthetic and medical datasets verify the desired properties of our proposed method.

Deploying LLMs raises two coupled challenges: (1) monitoring - estimating where a model underperforms as traffic and domains drift - and (2) improvement - prioritizing data acquisition to close the largest performance gaps. We test whether an inference-time signal can estimate slice-level accuracy under domain shift. For each response, we compute an output-entropy profile from final-layer next-token probabilities (from top-k logprobs) and summarize it with eleven statistics. A lightweight classifier predicts instance correctness, and averaging predicted probabilities yields a domain-level accuracy estimate. We evaluate on ten STEM reasoning benchmarks with exhaustive train/test compositions (k in {1,2,3,4}; all "10 choose k" combinations), across nine LLMs from six families (3B-20B). Estimates often track held-out benchmark accuracy, and several models show near-monotonic ordering of domains. Output-entropy profiles are thus an accessible signal for scalable monitoring and for targeting data acquisition.

Molecular property prediction is crucial for drug discovery and materials science, yet existing approaches suffer from limited interpretability, poor cross-task generalization, and lack of chemical reasoning capabilities. Traditional machine learning models struggle with task transferability, while specialized molecular language models provide little insight into their decision-making processes. To address these limitations, we propose MPPReasoner, a multimodal large language model that incorporates chemical reasoning for molecular property prediction. Our approach, built upon Qwen2.5-VL-7B-Instruct, integrates molecular images with SMILES strings to enable comprehensive molecular understanding. We develop a two-stage training strategy: supervised fine-tuning (SFT) using 16,000 high-quality reasoning trajectories generated through expert knowledge and multiple teacher models, followed by Reinforcement Learning from Principle-Guided Rewards (RLPGR). RLPGR employs verifiable, rule-based rewards that systematically evaluate chemical principle application, molecular structure analysis, and logical consistency through computational verification. Extensive experiments across 8 datasets demonstrate significant performance improvements, with MPPReasoner outperforming the best baselines by 7.91\% and 4.53\% on in-distribution and out-of-distribution tasks respectively. MPPReasoner exhibits exceptional cross-task generalization and generates chemically sound reasoning paths that provide valuable insights into molecular property analysis, substantially enhancing both interpretability and practical utility for chemists. Code is available at https://anonymous.4open.science/r/MPPReasoner-12687.

Most applications of machine learning to classification assume a closed set of balanced classes. This is at odds with the real world, where class occurrence statistics often follow a long-tailed power-law distribution and it is unlikely that all classes are seen in a single sample. Nonparametric Bayesian models naturally capture this phenomenon, but have significant practical barriers to widespread adoption, namely implementation complexity and computational inefficiency. To address this, we present a method for extracting the inductive bias from a nonparametric Bayesian model and transferring it to an artificial neural network. By simulating data with a nonparametric Bayesian prior, we can metalearn a sequence model that performs inference over an unlimited set of classes. After training, this "neural circuit" has distilled the corresponding inductive bias and can successfully perform sequential inference over an open set of classes. Our experimental results show that the metalearned neural circuit achieves comparable or better performance than particle filter-based methods for inference in these models while being faster and simpler to use than methods that explicitly incorporate Bayesian nonparametric inference.

Recent attacks show that behavioural unlearning of large language models leaves internal traces recoverable by adversarial probes. We characterise where this retention lives and show it can be surgically removed without measurable capability cost. Our central protocol is a leave-one-out cross-sequence probe that tests whether a memorisation signature generalises across held-out sequences. The signature is real and consistent across scale: memorisation-specific gaps of +0.32, +0.19, +0.30 on Pythia-70M, GPT-2 medium, and Mistral-7B; on Pythia-70M, the random-initialisation control collapses to -0.04 at the deepest layer where the pretrained signature peaks. The probe direction is causally separable from recall -- projecting it out collapses the signature locally (+0.44 -> -0.19) while behavioural recall barely changes -- and a probe trained on naturally memorised content does not classify fine-tuning-injected secrets, marking two representationally distinct regimes. We then introduce probe-geometry alignment (PGA), a surgical erasure that aligns activations along the probe's live readout direction at each depth. PGA drives the cross-sequence probe below random chance at all four scales tested (toy depth-4: 0.17; Pythia-70M: 0.07; Mistral-7B: 0.45; GPT-2 medium: 0.06 via MD-PGA k=2) and remains robust to six adversarial probe variants. Against a re-fitting attacker who trains a fresh probe on PGA-treated activations, we extend PGA adversarially, defeating the re-fit probe at every memorisation-relevant depth while preserving five zero-shot capability benchmarks within 2.8 percentage points per task (mean Δacc = +0.2pp). The cross-sequence signature is a real, causally separable, regime-specific property of pretrained representations -- removable below chance with a single rank-one intervention per depth at no measurable capability cost.