Information Gain

Normalizing flow Boltzmann generators retain a tractable pushforward density, but training with forward KL depends on target samples that may be biased or omit modes. As a result, a flow can miss target mass while its observed importance weights give a high effective sample size. We introduce the log-ratio variation $\X_ω$, the mean absolute pairwise difference of the target-to-pushforward log-density ratio under a weighting measure $ω$, and use it to define KLXX, a new loss function. Two log-ratio variations are added to the forward KL (denoted by the two X's): one weighted by the target to improve accuracy, the other by a mixture of quench and temper samples with pushforward samples to search candidate modes. We derive the Fisher--Rao gradient flow of KLXX, where both variations contribute nonpositive dissipation, and a fixed-surrogate error bound for KLXX. We use KLXX in an adaptive-staging Boltzmann generator, with importance reweighting at every stage. We bound the sampling error of its inference scheme when the stage weights are essentially bounded, and prove it asymptotically unbiased in the sample size. In the numerical tests, KLXX improves mode coverage over forward KL. It also improves the generator's per-stage diagnostics against the loss that built the schedule. The observables the generator recovers are close to independent references. The log-ratio variations thus supply information that the forward KL loss usually omits.

Representation learning has enabled classical exploration strategies to be extended to deep Reinforcement Learning (RL), but often makes algorithms more complex and theoretical guarantees harder to establish. We introduce Random Feature Information Gain (RFIG), grounded in Bayesian kernel methods theory, which uses random Fourier features to approximate information gain and compute exploration bonuses in non-countable spaces. We provide error bounds on information gain approximation and avoid the black-box aspects of neural network-based uncertainty estimation, for optimism-based exploration. We present practical details that make RFIG scalable to deep RL scenarios, enabling smooth integration into standard deep RL algorithms. Experimental evaluation across diverse control and navigation tasks demonstrates that RFIG achieves competitive performance with well-established deep exploration methods while offering superior theoretical interpretation.

Occupancy ratios correct distribution shift in offline reinforcement learning and are central to off-policy evaluation. Existing primal-dual and minimax methods typically estimate these ratios by enforcing occupancy-balance moments over a critic class. We propose fitted occupancy-ratio evaluation (FORE), a fitted fixed-point method that characterizes the discounted occupancy ratio through an adjoint Bellman recursion. At each iteration, FORE solves a single-level density-ratio objective on one-step-transition data, thereby projecting the adjoint Bellman image onto a log-ratio class in Kullback--Leibler (KL) divergence. Unlike analyses of fitted Q-evaluation, which typically require value-function realizability together with Bellman completeness or projected-operator stability, our central approximation condition is just realizability of the discounted occupancy ratio itself. Under this condition, the population KL-projected recursion contracts in relative entropy toward the true ratio by virtue of the adjoint Bellman operator being a KL-contraction. For the empirical recursion, we establish finite-sample regret bounds that yield convergence in KL up to log-ratio approximation error and a statistical error governed by the complexity of the ratio hypothesis class. The fitted ratio supports direct value estimation by reward reweighting, occupancy-weighted fitted Q-evaluation, and doubly robust estimation that combines the fitted ratio with a fitted Q-function. Together, these results identify discounted occupancy-ratio realizability as a sufficient condition for offline policy evaluation without any completeness assumptions.

On-policy distillation (OPD) trains an LLM on states induced by the current or recent student policy: the student generates complete or partial rollouts, a teacher or self-teacher scores the resulting tokens under their generated contexts, and dense log-probability, logit, or distributional signals are converted into post-training updates. This survey studies OPD as a feedback-to-update problem rather than a single loss family. We develop a formula-driven taxonomy from two routes -- direct distributional losses and policy-gradient-style log-ratio updates -- and use it to organize core methods, verifier- or outcome-guided hybrids, industrial reports, framework implementations, failure modes, and stabilization recipes under explicit evidence boundaries. The taxonomy shows that OPD effectiveness depends not only on KL direction or teacher access, but also on state compatibility, support construction, temporal credit, vocabulary-level probability routing, gates and weights, and regularization. We further separate two mechanisms often conflated in sampled-token OPD stability discussions. Temporal credit asks how teacher-student log-ratio returns should weight sampled actions across a rollout; vocabulary routing asks where probability mass should move when negative feedback suppresses a sampled token. This distinction yields bias boundaries for immediate, return-to-go, discounted, and baseline-corrected estimators, motivates GAE-OPD as a value-based hypothesis for log-ratio returns, and motivates Counterfactual Routed OPD (CR-OPD) for routing probability mass toward teacher-supported, student-reachable alternatives. We close by mapping actionability diagnostics, failure mechanisms, case studies, open problems, and a reporting checklist onto the same feedback-to-update variables.

Mental illnesses among drug users are an increasing international issue, particularly in regions where early detection cannot be easily undertaken. The current literature tends to ignore the use of AI-based mental health analysis in drug users, and low quality of the class imbalance treatment, low interpretability, and optimal hyperparameter optimization can lower predictive quality and clinical utility. This study present a detailed, explainable machine learning (ML) model of multiclass mental health prediction, using a multidimensional data set of drug-affected persons. We combine hybrid PCA-Information Gain (PCA-IG) feature selection, Generative Adversarial Network (GAN)-based oversampling, and Dragonfly Algorithm (DA)-optimized XGBoost to address some of the limitations of existing methods. The suggested framework is effective to work with high-dimensional categorical data, address the issue of class imbalance, and improve predictive performance due to intelligent hyperparameter tuning. The experimental findings show that the XGBoost model optimized using the DA, in combination with GAN-based oversampling, has an accuracy of 94.17% and a weighted F1-score of 93.80%, which is better than the traditional and baseline models. The behavioral, lifestyle, and health factors, particularly sleep quality, physical health, and emotional regulation, are strongly predictive of mental health, with demographic factors having little impact, as seen through feature analysis. SHAP-based explainable AI provides easy-to-understand, instance-level information, enhancing interpretability and trust in models to be used in clinical settings. The results indicate that this framework has the potential to generate valid mental health forecasting tools, which would facilitate early intervention and enhance the treatment of drug-influenced people.

Standard on-policy distillation (OPD) for large language models estimates the reverse-KL objective using student-sampled tokens, yielding an unbiased single-sample Monte Carlo estimator that avoids vocabulary-wide computation. However, we show that this estimator suffers from severe training pathologies in practice: sample inefficiency, unstable generation dynamics, and a substantial performance gap compared to exact full-vocabulary OPD. Reward-level diagnosis traces these pathologies to the log-ratio reward, which is unbounded by construction, producing extremely high-variance gradients concentrated at early positions and persisting throughout training; standard post-hoc scaling fail as they operate only after this distortion occurs. To solve this problem, we propose PowerOPD: a family of natively bounded, sign-consistent rewards from the Box-Cox power transformation, parameterized by alpha > 0, of which the log-ratio is the degenerate alpha -> 0 limit. Across six mathematical reasoning benchmarks and four Qwen3 teacher-student pairs, PowerOPD achieves benchmark-averaged Avg@8/Pass@8 gains of up to +6.37/+5.71 over vanilla OPD, +3.01/+3.54 over post-hoc stabilization, and +2.59/+8.90 over full-vocabulary OPD, while reducing wall-clock time by 59.2% and peak GPU memory by 23.1%. Larger alpha generally improves accuracy, consistently shortens responses, and keeps gradient norms more than 3,000x smaller than vanilla OPD.

Evaluating multi-turn dialogue is challenging because quality emerges across turns rather than within individual responses. We focus on a key dimension of information-seeking dialogue: semantic progress, defined as the accumulation of new, question-relevant, and non-redundant information over the course of a conversation. We formalize semantic progress as question-conditioned uncertainty reduction and introduce an information-theoretic metric that approximates it in embedding space. Our main estimator uses a tractable Gaussian formulation with closed-form updates, while a complementary maximum-entropy argument shows why log-determinant structure arises more broadly when only second-order embedding information is retained. This formulation yields desirable theoretical properties, including monotonicity, additive decomposition of total information gain across turns, and diminishing returns for redundant evidence. Unlike LLM-as-a-judge approaches, our metric requires no autoregressive inference at evaluation time and is fully reproducible for a fixed embedding model. Experiments on MT-Bench, Chatbot Arena, and UltraFeedback show that the proposed metric achieves competitive agreement with human judgments despite targeting only semantic progress, with improved alignment on MT-Bench and UltraFeedback compared to several LLM-based judges. Notably, the method remains effective with lightweight embedding models under CPU-only execution, indicating that semantic progress can be captured without reliance on large model capacity.

In hierarchical reasoning, failures often originate at intermediate decision points where the agent commits to a wrong branch without recognizing that it lacks critical information. Rather than treating clarification as an external uncertainty trigger, we propose ACTION-RATING, a formulation that places it inside the agent's action space on a shared ordinal scale with navigation, so that asking competes directly with acting at every decision point and help-seeking becomes observable at intermediate states. Two structurally distinct information-seeking modes emerge from the agent's own ratings: mandatory (no viable branch) and opportunistic (residual uncertainty despite a leading candidate). On Harmonized Tariff Schedule classification (30,000-node taxonomy, three benchmarks, 9~LLMs across 4 families), we observe a regime shift from mandatory to opportunistic clarification, with Information-Seeking Effectiveness (ISE), a local diagnostic defined as the fraction of help interactions followed by a correct next navigation step (not a final-task metric), rising from 50% to 74%. Three diagnostic contrasts fail to reproduce this structure. A separability test shows that the information-seeking pattern (mode split, ISE ranking) persists when answer quality is degraded (-18.8% accuracy), supporting an empirical separation between where an agent seeks help and the quality of the help it receives. Under the controlled answer channel, accuracy gains reach +16.2% at 10-digit; we read this as an upper bound on what better localization could unlock, not a deployment estimate.

Long-context tasks require LLMs to identify and preserve answer-relevant information from large contexts. Chunk-wise memory agents address this issue by sequentially reading document chunks, updating a compact memory, and generating the final answer from the accumulated memory. However, existing RL-based chunk-wise agents either rely on sparse final-answer rewards or use lexical intermediate rewards for memory and retrieval actions. These signals supervise task success or local overlap, but do not directly evaluate whether the final memory supports the ground-truth answer. We propose InfoMem, a reward mechanism for training chunk-wise memory agents that evaluates final-memory utility using answer-conditioned information. InfoMem measures how much the final memory increases the model's per-token log-likelihood of the ground-truth answer. To stabilize RL optimization, InfoMem applies this signal only to successful trajectories and normalizes it before reward composition. Under the same GRPO framework and training budget, InfoMem improves long-context memory-agent performance over comparable memory-agent RL baselines. Analyses show that effective final-memory rewards should operate on successful trajectories, be normalized before reward composition, and be conditioned on the answer rather than the query. Our code is available at https://github.com/GenSouKa1/InfoMem.

Large Language Model (LLM) agents often operate under underspecified user instructions, where latent uncertainty over user intent leads to erroneous tool actions. To address this challenge, we propose a goal-oriented clarification framework that aligns clarification behavior with ambiguity resolution. Central to our approach is the Information Gain Reward, a metric that quantifies the utility of clarification questions by measuring the Bayesian belief update towards the ground-truth goal induced by the clarification exchange. We train the clarifier (LLM) using this reward to optimize for high information gain, ensuring that clarifications effectively reduce uncertainty and improve task completion within the agent-tool-user environment. We validate our framework within a clarification-enhanced $τ$-Bench environment, conducting cross-agent evaluations across five heterogeneous backbones. Empirical results demonstrate that our method consistently improves the success rate by 3.7% over the no-clarification baseline, while adding only 0.3 total interaction steps on average.

Compositional data must be analysed through log-ratios: scale invariance, the defining axiom of the field, leaves no alternative. The centred log-ratio divides by the geometric mean of every part, so a single contaminated component shifts every centred-log-ratio coordinate at once, displacing the log-ratio vector by a fixed amount that no choice of coordinates can reduce. We develop a theory of cellwise contamination on the simplex around this observation. A scale-invariant contamination model built from multiplicative perturbation combines with a propagation theorem showing that corruption of a single raw part induces a rank-one shift of the log-ratio vector, with direction determined by the contrast matrix. The resulting perturbation pattern is not equivalent to any independent cellwise contamination model in log-ratio coordinates -- so standard Euclidean cellwise methods applied to log-ratios are ill-posed under the simplex contamination mechanism. For estimators whose Euclidean cellwise breakdown is witnessed by a column-concentrated configuration -- a class including MCD, $S$-, $τ$-, and coordinate-wise $M$-estimators of location and scatter -- the cellwise breakdown value on the simplex is reduced by the factor $(D-1)/D$ relative to its Euclidean counterpart, a reduction that is tight and arises purely from the normalisation mismatch between $nD$ raw cells and $n(D-1)$ ilr cells. The cellwise influence function for the variation matrix carries a diagnostic fingerprint: contamination of a single part inflates exactly one row and column, identifying the responsible component. These results form the theoretical foundation for cellwise-robust methods on the simplex; a companion paper develops a cellwise-robust PCA estimator that exploits the propagation geometry and demonstrates it on simulated and geochemical data.

Intrinsic rewards for exploration in reinforcement learning condition on different contexts: lifelong rewards score each transition against accumulated experience but ignore within-rollout redundancy; episodic rewards penalize intra-trajectory repetition but discard lifetime progress. Hybrid methods combine both signals through heuristic weights or require Gaussian-process dynamics that do not scale beyond low-dimensional state spaces. Trajectory-level information gain decomposes into per-step terms that condition on the replay buffer and rollout prefix simultaneously, but remains intractable for deep models. We derive the Conditional Information Gain (CIG) reward as a tractable surrogate: a log-determinant objective over an ensemble disagreement kernel whose Cholesky factorization yields causal per-step rewards that retain both conditioning sets while scaling to high-dimensional state spaces. We instantiate CIG in a model-based setting, where rollouts are short and within-rollout corrections remain largely unexplored. Across twelve tasks spanning discrete (MiniGrid) and continuous control (OGBench), in both clean and stochastic-distractor settings, CIG outperforms or matches prior exploration methods while remaining robust to stochastic distractors.

Conventional approaches to learning on graphs involve message passing along existing (i.e., positive) edges to update node features. However, these approaches often disregard the potentially valuable information contained in the absence (i.e., negative) of edges. Here, we theoretically analyze the value of negative edges in graph representations and prove that in settings of low label rates, high homophily, and high edge density, access to negative edges provides significant information gain over using only positive edges. Motivated by this insight, we introduce Contrastive Message Passing (CMP), a general message passing architecture that enable graph neural network layers to reason over positive and negative edges. By imposing soft positive semidefinite constraints on the learnable weights, our approach differentially applies similarity-preserving transformations to positively connected nodes and dissimilarity-inducing transformations to negatively connected nodes. Over simulated and real datasets in varying data regimes, CMP consistently outperforms baselines in low-label settings when negative edges are informative.

Retrieval-Augmented Generation (RAG) grounds Large Language Models in external knowledge, yet current evaluations rely on discrete heuristics that suffer from ''epistemic blindness'' - failing to distinguish genuine contextual information extraction from parametric memory recall. To address this, we introduce the Normalized Context Utilization (NCU) metric, leveraging continuous token log-probabilities across zero-shot, oracle, and adversarial conditions to strictly quantify contextual information gain. Evaluating architectures ranging from 1.5B to 72B parameters alongside a proprietary commercial API reveals that for strict factual extraction (without Chain-of-Thought reasoning), traditional scaling laws exhibit extreme diminishing returns: highly efficient Small Language Models (SLMs) match or outperform high-capacity architectures. Furthermore, we demonstrate that ``Prior Dominance'' correlates with model scale and proprietary alignments. The evaluated commercial API not only overrode explicit external evidence in nearly half of adversarial conflicts, but also frequently suffered from systemic confidence collapse (Negative Transfer) when its parametric priors were contradicted. Our findings highlight the structural epistemic advantage and superior contextual adherence of SLMs in strict extraction workflows.

Bayesian Optimal Experimental Design (BOED) provides a rigorous framework for decision-making tasks in which data acquisition is often the critical bottleneck, especially in resource-constrained settings. Traditionally, BOED typically selects designs by maximizing expected information gain (EIG), commonly defined through the Kullback-Leibler (KL) divergence. However, classical evaluation of EIG often involves challenging nested expectations, and even advanced variational methods leave the underlying log-density-ratio objective unchanged. As a result, support mismatch, tail underestimation, and rare-event sensitivity remain intrinsic concerns for KL-based BOED. To address these fundamental bottlenecks, we introduce an IPM-based BOED framework that replaces density-based divergences with integral probability metrics (IPMs), including the Wasserstein distance, Maximum Mean Discrepancy, and Energy Distance, resulting in a highly flexible plug-and-play BOED framework. We establish theoretical guarantees showing that IPM-based utilities provide stronger geometry-aware stability under surrogate-model error and prior misspecification than classical EIG-based utilities. We also validate the proposed framework empirically, demonstrating that IPM-based designs yield highly concentrated credible sets. Furthermore, by extending the same sample-based BOED template in a plug-and-play manner to geometry-aware discrepancies beyond the IPM class, illustrated by a neural optimal transport estimator, we achieve accurate optimal designs in high-dimensional settings where conventional nested Monte Carlo estimators and advanced variational methods fail.

Measuring the quality of public deliberation requires evaluating not only civility or argument structure, but also the informational progress of a conversation. We introduce a framework for Conversational Information Gain (CIG) that evaluates each utterance in terms of how it advances collective understanding of the target topic. To operationalize CIG, we model an evolving semantic memory of the discussion: the system extracts atomic claims from utterances and incrementally consolidates them into a structured memory state. Using this memory, we score each utterance along three interpretable dimensions: Novelty, Relevance, and Implication Scope. We annotate 80 segments from two moderated deliberative settings (TV debates and community discussions) with these dimensions and show that memory-derived dynamics (e.g., the number of claim updates) correlate more strongly with human-perceived CIG than traditional heuristics such as utterance length or TF--IDF. We develop effective LLM-based CIG predictors paving the way for information-focused conversation quality analysis in dialogues and deliberative success.

Reinforcement learning has emerged as an effective paradigm for training large language models to perform search-augmented reasoning. However, existing approaches rely on trajectory-level rewards that cannot distinguish precise search queries from vague or redundant ones within a rollout group, and collapse to a near-zero gradient signal whenever every sampled trajectory fails. In this paper, we propose IG-Search, a reinforcement learning framework that introduces a step-level reward based on Information Gain (IG). For each search step, IG measures how much the retrieved documents improve the model's confidence in the gold answer relative to a counterfactual baseline of random documents, thereby reflecting the effectiveness of the underlying search query. This signal is fed back to the corresponding search-query tokens via per-token advantage modulation in GRPO, enabling fine-grained, step-level credit assignment within a rollout. Unlike prior step-level methods that require either externally annotated intermediate supervision or shared environment states across trajectories, IG-Search derives its signals from the policy's own generation probabilities, requiring no intermediate annotations beyond standard question-answer pairs. Experiments on seven single-hop and multi-hop QA benchmarks demonstrate that IG-Search achieves an average EM of 0.430 with Qwen2.5-3B, outperforming the strongest trajectory-level baseline (MR-Search) by 1.6 points and the step-level method GiGPO by 0.9 points on average across benchmarks, with particularly pronounced gains on multi-hop reasoning tasks. Despite introducing a dense step-level signal, IG-Search adds only ~6.4% to per-step training wall-clock time over the trajectory-level baseline and leaves inference latency unchanged, while still providing a meaningful gradient signal even when every sampled trajectory answers incorrectly.

We consider problems of parameter estimation where design variables can be actively optimized to maximize information gain. To this end, we introduce JADAI, a framework that jointly amortizes Bayesian adaptive design and inference by training a policy, a history network, and an inference network end-to-end. The networks minimize a generic loss that aggregates incremental reductions in posterior error along experimental sequences. Inference networks are instantiated with diffusion-based posterior estimators that can approximate high-dimensional and multimodal posteriors at every experimental step. Across standard adaptive design benchmarks, JADAI achieves superior or competitive performance.

Interactive medical questioning is essential in clinical consultations, where physicians must actively gather necessary patient information. Yet existing medical Large Language Models (LLMs) predominantly follow a reactive paradigm, risking diagnostic errors by answering before seeking sufficient details. To bridge this gap, we propose ProMed, a reinforcement learning framework that transitions LLMs toward a proactive paradigm, enabling them to ask clinically valuable questions before decision-making. Central to ProMed is the Shapley Information Gain (SIG) reward, which quantifies a question's clinical utility as the amount of newly acquired information, while considering its contextual importance via Shapley values. We integrate SIG into a two-stage training pipeline: (1) SIG-Guided Model Initialization uses Monte Carlo Tree Search to construct high-reward interaction trajectories for supervision, and (2) SIG-Augmented Policy Optimization, with a novel SIG-guided Reward Distribution Mechanism that prioritizes informative questions for fine-grained optimization. Experiments on partial-information medical benchmarks show that ProMed significantly outperforms state-of-the-art methods by 6.29% on average and delivers a 54.45% gain over the reactive paradigm, and generalizes robustly to out-of-domain cases. Our codes are available at https://github.com/hxxding/ProMed.